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Showing metabocard for Cortisone (HMDB0002802)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (4) Show 4 proteinsXML
enzymes (4) Show 4 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-05-22 15:12:11 UTC
Update Date2022-03-07 02:49:17 UTC
HMDB IDHMDB0002802
Secondary Accession Numbers
  • HMDB02802
Metabolite Identification
Common NameCortisone
DescriptionCortisone is a naturally occurring glucocorticoid. It has been used in replacement therapy for adrenal insufficiency and as an anti-inflammatory agent. Cortisone itself is inactive. It is converted in the liver into the active metabolite cortisol. Cortisone is a corticosteroid hormone released by the adrenal gland in response to stress. One of cortisone's effects on the body, and a potentially harmful side effect when administered clinically, is the suppression of the immune system. This is an explanation for the apparent correlation between high stress and sickness.
Structure
Data?1582752256
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0002802 (Cortisone)


  Mrv1652305271900062D          

 29 32  0  0  1  0            999 V2000
    0.7146   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7146    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6986    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4290   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7146   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7146    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2136    1.0800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4992    2.3175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282    2.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6427    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282    1.4925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  1  0  0  0  0
 15 11  1  0  0  0  0
 15 13  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4 19  1  0  0  0  0
 19  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
 11 21  1  0  0  0  0
 21  8  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 13  1  0  0  0  0
 18  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  6  0  0  0
 13 14  1  6  0  0  0
 15 16  1  1  0  0  0
 18 27  1  6  0  0  0
 18 23  1  0  0  0  0
 23 25  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
  7 28  1  1  0  0  0
 17 29  1  1  0  0  0
M  END
Download

3D MOL for HMDB0002802 (Cortisone)

HMDB0002802
     RDKit          3D
Cortisone
 54 57  0  0  0  0  0  0  0  0999 V2000
    2.0537   -1.2395    1.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7415   -0.1238    0.3269 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0772    1.0496    1.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3104    0.5616    1.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5981    0.5508    2.5322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1388    0.1570    0.2242 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4376   -1.0468   -0.4139 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1736   -1.5505   -1.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6428   -1.7809   -1.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145   -0.5498   -0.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2211    0.0671   -1.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7475    1.2625   -0.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9623    1.5595   -0.7173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7283    2.0802    0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1531    1.1500    1.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5848   -0.1035    0.5343 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7517   -1.2436    1.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8860   -0.5247   -0.8480 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7827   -1.4886   -1.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1705   -0.8689   -1.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0138    0.2781   -0.4015 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7438    1.4778   -1.0973 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1730    0.4521    0.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5819   -0.4636    1.1464 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639    1.7586    0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3149    2.7232   -0.2743 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390   -1.9488    0.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1105   -1.6955    1.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517   -0.8672    2.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200    1.4130    1.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9155    1.8244    0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1038    0.9619   -0.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4060   -1.8771    0.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0109   -0.8554   -2.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7055   -2.5203   -1.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7669   -2.6742   -0.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458   -1.9556   -2.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6811   -0.2806   -2.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1967    2.9492    0.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9035    2.3799   -0.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9740    0.9153    1.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3619    1.7609    1.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3716   -2.0698    1.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   -0.8550    2.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7813   -1.7010    1.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109    0.4048   -1.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7100   -2.4917   -1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5382   -1.4506   -2.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5753   -0.5259   -2.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981   -1.6335   -0.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9884    1.4046   -2.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9545    1.6636    0.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8203    2.0833    1.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9344    3.4975    0.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
  7 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  6
 21 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 18  2  1  0
 21  2  1  0
 16  6  1  0
 16 10  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  3 31  1  0
  6 32  1  6
  7 33  1  1
  8 34  1  0
  8 35  1  0
  9 36  1  0
  9 37  1  0
 11 38  1  0
 14 39  1  0
 14 40  1  0
 15 41  1  0
 15 42  1  0
 17 43  1  0
 17 44  1  0
 17 45  1  0
 18 46  1  6
 19 47  1  0
 19 48  1  0
 20 49  1  0
 20 50  1  0
 22 51  1  0
 25 52  1  0
 25 53  1  0
 26 54  1  0
M  END
Download

3D SDF for HMDB0002802 (Cortisone)


  Mrv1652305271900062D          

 29 32  0  0  1  0            999 V2000
    0.7146   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7146    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6986    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4290   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7146   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7146    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2136    1.0800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4992    2.3175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282    2.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6427    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282    1.4925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  1  0  0  0  0
 15 11  1  0  0  0  0
 15 13  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4 19  1  0  0  0  0
 19  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
 11 21  1  0  0  0  0
 21  8  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 13  1  0  0  0  0
 18  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  6  0  0  0
 13 14  1  6  0  0  0
 15 16  1  1  0  0  0
 18 27  1  6  0  0  0
 18 23  1  0  0  0  0
 23 25  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
  7 28  1  1  0  0  0
 17 29  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0002802

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1

> <INCHI_KEY>
MFYSYFVPBJMHGN-ZPOLXVRWSA-N

> <FORMULA>
C21H28O5

> <MOLECULAR_WEIGHT>
360.444

> <EXACT_MASS>
360.193674006

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
38.95004409634094

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,17-dione

> <ALOGPS_LOGP>
1.98

> <JCHEM_LOGP>
1.6606806883333327

> <ALOGPS_LOGS>
-3.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.90448417023887

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.576200785155365

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3299891188847104

> <JCHEM_POLAR_SURFACE_AREA>
91.67

> <JCHEM_REFRACTIVITY>
96.47479999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.36e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,17-dione

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0002802 (Cortisone)

HMDB0002802
     RDKit          3D
Cortisone
 54 57  0  0  0  0  0  0  0  0999 V2000
    2.0537   -1.2395    1.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7415   -0.1238    0.3269 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0772    1.0496    1.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3104    0.5616    1.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5981    0.5508    2.5322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1388    0.1570    0.2242 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4376   -1.0468   -0.4139 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1736   -1.5505   -1.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6428   -1.7809   -1.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145   -0.5498   -0.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2211    0.0671   -1.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7475    1.2625   -0.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9623    1.5595   -0.7173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7283    2.0802    0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1531    1.1500    1.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5848   -0.1035    0.5343 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7517   -1.2436    1.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8860   -0.5247   -0.8480 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7827   -1.4886   -1.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1705   -0.8689   -1.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0138    0.2781   -0.4015 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7438    1.4778   -1.0973 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1730    0.4521    0.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5819   -0.4636    1.1464 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639    1.7586    0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3149    2.7232   -0.2743 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390   -1.9488    0.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1105   -1.6955    1.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517   -0.8672    2.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200    1.4130    1.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9155    1.8244    0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1038    0.9619   -0.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4060   -1.8771    0.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0109   -0.8554   -2.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7055   -2.5203   -1.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7669   -2.6742   -0.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458   -1.9556   -2.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6811   -0.2806   -2.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1967    2.9492    0.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9035    2.3799   -0.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9740    0.9153    1.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3619    1.7609    1.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3716   -2.0698    1.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   -0.8550    2.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7813   -1.7010    1.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109    0.4048   -1.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7100   -2.4917   -1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5382   -1.4506   -2.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5753   -0.5259   -2.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981   -1.6335   -0.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9884    1.4046   -2.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9545    1.6636    0.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8203    2.0833    1.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9344    3.4975    0.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
  7 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  6
 21 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 18  2  1  0
 21  2  1  0
 16  6  1  0
 16 10  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  3 31  1  0
  6 32  1  6
  7 33  1  1
  8 34  1  0
  8 35  1  0
  9 36  1  0
  9 37  1  0
 11 38  1  0
 14 39  1  0
 14 40  1  0
 15 41  1  0
 15 42  1  0
 17 43  1  0
 17 44  1  0
 17 45  1  0
 18 46  1  6
 19 47  1  0
 19 48  1  0
 20 49  1  0
 20 50  1  0
 22 51  1  0
 25 52  1  0
 25 53  1  0
 26 54  1  0
M  END
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PDB for HMDB0002802 (Cortisone)

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.037   0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.132  -0.476   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   12  H   UNK     0       0.000  -1.540   0.000  0.00  0.00           H+0
HETATM   13  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   14  H   UNK     0       2.667  -1.540   0.000  0.00  0.00           H+0
HETATM   15  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   16  H   UNK     0       1.334   0.770   0.000  0.00  0.00           H+0
HETATM   17  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.132   2.016   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       4.132   3.556   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       2.799   4.326   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       5.466   4.326   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       6.800   3.556   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       5.466   2.786   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -1.334   0.770   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.667   3.080   0.000  0.00  0.00           C+0
CONECT    1   15    2                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    7                                                  
CONECT    4    3   19                                                       
CONECT    5   19    6                                                       
CONECT    6    5    7                                                       
CONECT    7    3    6   11   28                                             
CONECT    8   21   17                                                       
CONECT    9   18   10                                                       
CONECT   10    9   13                                                       
CONECT   11   15    7   21   12                                             
CONECT   12   11                                                            
CONECT   13   15   17   10   14                                             
CONECT   14   13                                                            
CONECT   15    1   11   13   16                                             
CONECT   16   15                                                            
CONECT   17    8   18   13   29                                             
CONECT   18   17    9   27   23                                             
CONECT   19    4    5   20                                                  
CONECT   20   19                                                            
CONECT   21   11    8   22                                                  
CONECT   22   21                                                            
CONECT   23   18   25   24                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25                                                            
CONECT   27   18                                                            
CONECT   28    7                                                            
CONECT   29   17                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   64    0
END
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3D PDB for HMDB0002802 (Cortisone)

COMPND    HMDB0002802
HETATM    1  C1  UNL     1       2.054  -1.239   1.262  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.741  -0.124   0.327  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.077   1.050   1.010  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.310   0.562   1.368  1.00  0.00           C  
HETATM    5  O1  UNL     1      -0.598   0.551   2.532  1.00  0.00           O  
HETATM    6  C5  UNL     1      -1.139   0.157   0.224  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.438  -1.047  -0.414  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.174  -1.550  -1.636  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.643  -1.781  -1.344  1.00  0.00           C  
HETATM   10  C9  UNL     1      -3.215  -0.550  -0.720  1.00  0.00           C  
HETATM   11  C10 UNL     1      -4.221   0.067  -1.283  1.00  0.00           C  
HETATM   12  C11 UNL     1      -4.748   1.263  -0.644  1.00  0.00           C  
HETATM   13  O2  UNL     1      -5.962   1.560  -0.717  1.00  0.00           O  
HETATM   14  C12 UNL     1      -3.728   2.080   0.087  1.00  0.00           C  
HETATM   15  C13 UNL     1      -3.153   1.150   1.130  1.00  0.00           C  
HETATM   16  C14 UNL     1      -2.585  -0.103   0.534  1.00  0.00           C  
HETATM   17  C15 UNL     1      -2.752  -1.244   1.520  1.00  0.00           C  
HETATM   18  C16 UNL     1       0.886  -0.525  -0.848  1.00  0.00           C  
HETATM   19  C17 UNL     1       1.783  -1.489  -1.557  1.00  0.00           C  
HETATM   20  C18 UNL     1       3.171  -0.869  -1.377  1.00  0.00           C  
HETATM   21  C19 UNL     1       3.014   0.278  -0.402  1.00  0.00           C  
HETATM   22  O3  UNL     1       2.744   1.478  -1.097  1.00  0.00           O  
HETATM   23  C20 UNL     1       4.173   0.452   0.470  1.00  0.00           C  
HETATM   24  O4  UNL     1       4.582  -0.464   1.146  1.00  0.00           O  
HETATM   25  C21 UNL     1       4.864   1.759   0.534  1.00  0.00           C  
HETATM   26  O5  UNL     1       4.315   2.723  -0.274  1.00  0.00           O  
HETATM   27  H1  UNL     1       2.739  -1.949   0.802  1.00  0.00           H  
HETATM   28  H2  UNL     1       1.111  -1.695   1.625  1.00  0.00           H  
HETATM   29  H3  UNL     1       2.552  -0.867   2.205  1.00  0.00           H  
HETATM   30  H4  UNL     1       1.620   1.413   1.881  1.00  0.00           H  
HETATM   31  H5  UNL     1       0.915   1.824   0.233  1.00  0.00           H  
HETATM   32  H6  UNL     1      -1.104   0.962  -0.537  1.00  0.00           H  
HETATM   33  H7  UNL     1      -0.406  -1.877   0.310  1.00  0.00           H  
HETATM   34  H8  UNL     1      -1.011  -0.855  -2.481  1.00  0.00           H  
HETATM   35  H9  UNL     1      -0.705  -2.520  -1.901  1.00  0.00           H  
HETATM   36  H10 UNL     1      -2.767  -2.674  -0.734  1.00  0.00           H  
HETATM   37  H11 UNL     1      -3.146  -1.956  -2.317  1.00  0.00           H  
HETATM   38  H12 UNL     1      -4.681  -0.281  -2.209  1.00  0.00           H  
HETATM   39  H13 UNL     1      -4.197   2.949   0.589  1.00  0.00           H  
HETATM   40  H14 UNL     1      -2.904   2.380  -0.590  1.00  0.00           H  
HETATM   41  H15 UNL     1      -3.974   0.915   1.856  1.00  0.00           H  
HETATM   42  H16 UNL     1      -2.362   1.761   1.654  1.00  0.00           H  
HETATM   43  H17 UNL     1      -3.372  -2.070   1.118  1.00  0.00           H  
HETATM   44  H18 UNL     1      -3.296  -0.855   2.401  1.00  0.00           H  
HETATM   45  H19 UNL     1      -1.781  -1.701   1.806  1.00  0.00           H  
HETATM   46  H20 UNL     1       0.711   0.405  -1.433  1.00  0.00           H  
HETATM   47  H21 UNL     1       1.710  -2.492  -1.143  1.00  0.00           H  
HETATM   48  H22 UNL     1       1.538  -1.451  -2.642  1.00  0.00           H  
HETATM   49  H23 UNL     1       3.575  -0.526  -2.353  1.00  0.00           H  
HETATM   50  H24 UNL     1       3.798  -1.634  -0.900  1.00  0.00           H  
HETATM   51  H25 UNL     1       2.988   1.405  -2.053  1.00  0.00           H  
HETATM   52  H26 UNL     1       5.954   1.664   0.273  1.00  0.00           H  
HETATM   53  H27 UNL     1       4.820   2.083   1.611  1.00  0.00           H  
HETATM   54  H28 UNL     1       3.934   3.498   0.200  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3   18   21
CONECT    3    4   30   31
CONECT    4    5    5    6
CONECT    6    7   16   32
CONECT    7    8   18   33
CONECT    8    9   34   35
CONECT    9   10   36   37
CONECT   10   11   11   16
CONECT   11   12   38
CONECT   12   13   13   14
CONECT   14   15   39   40
CONECT   15   16   41   42
CONECT   16   17
CONECT   17   43   44   45
CONECT   18   19   46
CONECT   19   20   47   48
CONECT   20   21   49   50
CONECT   21   22   23
CONECT   22   51
CONECT   23   24   24   25
CONECT   25   26   52   53
CONECT   26   54
END
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SMILES for HMDB0002802 (Cortisone)

[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
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INCHI for HMDB0002802 (Cortisone)

InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
11-Dehydro-17-hydroxycorticosteroneChEBI
17-Hydroxy-11-dehydrocorticosteroneChEBI
17alpha,21-Dihydroxy-4-pregnene-3,11,20-trioneChEBI
4-Pregnene-17alpha,21-diol-3,11,20-trioneChEBI
CortisonChEBI
Delta(4)-Pregnene-17alpha,21-diol-3,11,20-trioneChEBI
Kendall's compound eChEBI
KortisonChEBI
Pregn-4-en-17alpha,21-diol-3,11,20-trioneChEBI
Reichstein's substance faChEBI
Wintersteiner's compound FChEBI
17a,21-Dihydroxy-4-pregnene-3,11,20-trioneGenerator
17Α,21-dihydroxy-4-pregnene-3,11,20-trioneGenerator
4-Pregnene-17a,21-diol-3,11,20-trioneGenerator
4-Pregnene-17α,21-diol-3,11,20-trioneGenerator
delta(4)-Pregnene-17a,21-diol-3,11,20-trioneGenerator
Δ(4)-pregnene-17α,21-diol-3,11,20-trioneGenerator
Pregn-4-en-17a,21-diol-3,11,20-trioneGenerator
Pregn-4-en-17α,21-diol-3,11,20-trioneGenerator
Δ(4)-pregnene-17a,21-diol-3,11,20-trioneHMDB
AndresonHMDB
Anusol HCHMDB
Balneol-HCHMDB
beta-HCHMDB
ColocortHMDB
Compound eHMDB
CorlinHMDB
CortadrenHMDB
CortandrenHMDB
CortefHMDB
Cortef acetateHMDB
CortisalHMDB
CortisateHMDB
Cortisone acetateHMDB
CortistalHMDB
CortiviteHMDB
CortogenHMDB
CortoneHMDB
CortrilHMDB
DermacortHMDB
DricortHMDB
FlexicortHMDB
FlorinefHMDB
Fludrocortisone acetateHMDB
GlycortHMDB
Hemsol-HCHMDB
Hi-corHMDB
IncortinHMDB
Kendall'S compoundHMDB
LocoidHMDB
Locoid lipocreamHMDB
Micort-HCHMDB
Nogenic HCHMDB
Orabase hcaHMDB
PandelHMDB
Prestwick_132HMDB
Reichstein faHMDB
ScherosonHMDB
Solu-cortefHMDB
Stie-cortHMDB
TexacortHMDB
WestcortHMDB
AdresonHMDB
Cortone acetateHMDB
17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl acetateHMDB
Chemical FormulaC21H28O5
Average Molecular Weight360.444
Monoisotopic Molecular Weight360.193674006
IUPAC Name(1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,17-dione
Traditional Name(1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,17-dione
CAS Registry Number53-06-5
SMILES
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
InChI Identifier
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
InChI KeyMFYSYFVPBJMHGN-ZPOLXVRWSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassHydroxysteroids
Direct Parent21-hydroxysteroids
Alternative Parents
Substituents
  • Progestogin-skeleton
  • 21-hydroxysteroid
  • Pregnane-skeleton
  • 20-oxosteroid
  • 3-oxo-delta-4-steroid
  • 3-oxosteroid
  • 17-hydroxysteroid
  • Oxosteroid
  • 11-oxosteroid
  • Delta-4-steroid
  • Cyclohexenone
  • Alpha-hydroxy ketone
  • Cyclic alcohol
  • Tertiary alcohol
  • Cyclic ketone
  • Ketone
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organic oxygen compound
  • Organooxygen compound
  • Primary alcohol
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Ontology
Physiological effect
Health effect
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point222 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.28 mg/mL at 25 °CNot Available
LogP1.47HANSCH,C ET AL. (1995)
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+MetCCS_train_pos188.60330932474
[M-H]-Not Available191.4http://allccs.zhulab.cn/database/detail?ID=AllCCS00000266
[M+H]+Not Available188.7http://allccs.zhulab.cn/database/detail?ID=AllCCS00000266
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.14 g/LALOGPS
logP1.98ALOGPS
logP1.66ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)12.58ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area91.67 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity96.47 m³·mol⁻¹ChemAxon
Polarizability38.95 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+186.41131661259
DarkChem[M-H]-181.44431661259
DeepCCS[M-2H]-217.49330932474
DeepCCS[M+Na]+192.65730932474
AllCCS[M+H]+186.932859911
AllCCS[M+H-H2O]+184.332859911
AllCCS[M+NH4]+189.432859911
AllCCS[M+Na]+190.132859911
AllCCS[M-H]-191.932859911
AllCCS[M+Na-2H]-192.332859911
AllCCS[M+HCOO]-192.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Cortisone[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C3426.1Standard polar33892256
Cortisone[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C2936.7Standard non polar33892256
Cortisone[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C3365.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cortisone,1TMS,isomer #1C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3372.5Semi standard non polar33892256
Cortisone,1TMS,isomer #2C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3351.2Semi standard non polar33892256
Cortisone,1TMS,isomer #3C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO3197.4Semi standard non polar33892256
Cortisone,1TMS,isomer #4C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3311.8Semi standard non polar33892256
Cortisone,1TMS,isomer #5C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO3251.7Semi standard non polar33892256
Cortisone,1TMS,isomer #6C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO3302.2Semi standard non polar33892256
Cortisone,2TMS,isomer #1C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3406.5Semi standard non polar33892256
Cortisone,2TMS,isomer #10C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO3084.8Semi standard non polar33892256
Cortisone,2TMS,isomer #11C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3111.2Semi standard non polar33892256
Cortisone,2TMS,isomer #12C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3133.4Semi standard non polar33892256
Cortisone,2TMS,isomer #13C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3234.8Semi standard non polar33892256
Cortisone,2TMS,isomer #14C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO3102.4Semi standard non polar33892256
Cortisone,2TMS,isomer #2C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3183.7Semi standard non polar33892256
Cortisone,2TMS,isomer #3C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3241.2Semi standard non polar33892256
Cortisone,2TMS,isomer #4C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3296.3Semi standard non polar33892256
Cortisone,2TMS,isomer #5C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3321.8Semi standard non polar33892256
Cortisone,2TMS,isomer #6C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3181.9Semi standard non polar33892256
Cortisone,2TMS,isomer #7C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3214.4Semi standard non polar33892256
Cortisone,2TMS,isomer #8C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3270.6Semi standard non polar33892256
Cortisone,2TMS,isomer #9C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3347.5Semi standard non polar33892256
Cortisone,3TMS,isomer #1C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3208.2Semi standard non polar33892256
Cortisone,3TMS,isomer #1C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3164.8Standard non polar33892256
Cortisone,3TMS,isomer #1C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3552.4Standard polar33892256
Cortisone,3TMS,isomer #10C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3070.8Semi standard non polar33892256
Cortisone,3TMS,isomer #10C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3236.4Standard non polar33892256
Cortisone,3TMS,isomer #10C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3623.7Standard polar33892256
Cortisone,3TMS,isomer #11C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3102.9Semi standard non polar33892256
Cortisone,3TMS,isomer #11C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3124.4Standard non polar33892256
Cortisone,3TMS,isomer #11C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3624.4Standard polar33892256
Cortisone,3TMS,isomer #12C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3078.3Semi standard non polar33892256
Cortisone,3TMS,isomer #12C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3175.5Standard non polar33892256
Cortisone,3TMS,isomer #12C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3722.0Standard polar33892256
Cortisone,3TMS,isomer #13C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3127.1Semi standard non polar33892256
Cortisone,3TMS,isomer #13C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3033.8Standard non polar33892256
Cortisone,3TMS,isomer #13C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3708.7Standard polar33892256
Cortisone,3TMS,isomer #14C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3206.2Semi standard non polar33892256
Cortisone,3TMS,isomer #14C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3118.3Standard non polar33892256
Cortisone,3TMS,isomer #14C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3604.5Standard polar33892256
Cortisone,3TMS,isomer #15C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3017.4Semi standard non polar33892256
Cortisone,3TMS,isomer #15C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3146.3Standard non polar33892256
Cortisone,3TMS,isomer #15C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3683.2Standard polar33892256
Cortisone,3TMS,isomer #16C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3013.6Semi standard non polar33892256
Cortisone,3TMS,isomer #16C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3092.2Standard non polar33892256
Cortisone,3TMS,isomer #16C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3768.3Standard polar33892256
Cortisone,3TMS,isomer #2C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3253.1Semi standard non polar33892256
Cortisone,3TMS,isomer #2C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3097.0Standard non polar33892256
Cortisone,3TMS,isomer #2C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3595.5Standard polar33892256
Cortisone,3TMS,isomer #3C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3316.7Semi standard non polar33892256
Cortisone,3TMS,isomer #3C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3160.7Standard non polar33892256
Cortisone,3TMS,isomer #3C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3527.3Standard polar33892256
Cortisone,3TMS,isomer #4C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3348.2Semi standard non polar33892256
Cortisone,3TMS,isomer #4C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3092.5Standard non polar33892256
Cortisone,3TMS,isomer #4C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3521.7Standard polar33892256
Cortisone,3TMS,isomer #5C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3096.1Semi standard non polar33892256
Cortisone,3TMS,isomer #5C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3199.1Standard non polar33892256
Cortisone,3TMS,isomer #5C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3603.3Standard polar33892256
Cortisone,3TMS,isomer #6C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3117.8Semi standard non polar33892256
Cortisone,3TMS,isomer #6C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3088.3Standard non polar33892256
Cortisone,3TMS,isomer #6C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3586.6Standard polar33892256
Cortisone,3TMS,isomer #7C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3112.2Semi standard non polar33892256
Cortisone,3TMS,isomer #7C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3149.8Standard non polar33892256
Cortisone,3TMS,isomer #7C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3648.3Standard polar33892256
Cortisone,3TMS,isomer #8C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3138.9Semi standard non polar33892256
Cortisone,3TMS,isomer #8C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3020.8Standard non polar33892256
Cortisone,3TMS,isomer #8C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3635.7Standard polar33892256
Cortisone,3TMS,isomer #9C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3235.0Semi standard non polar33892256
Cortisone,3TMS,isomer #9C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3083.2Standard non polar33892256
Cortisone,3TMS,isomer #9C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3570.7Standard polar33892256
Cortisone,4TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3102.7Semi standard non polar33892256
Cortisone,4TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3258.3Standard non polar33892256
Cortisone,4TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3477.8Standard polar33892256
Cortisone,4TMS,isomer #2C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3137.2Semi standard non polar33892256
Cortisone,4TMS,isomer #2C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3150.0Standard non polar33892256
Cortisone,4TMS,isomer #2C[C@]12CCC(=O)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3496.4Standard polar33892256
Cortisone,4TMS,isomer #3C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3124.9Semi standard non polar33892256
Cortisone,4TMS,isomer #3C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3213.8Standard non polar33892256
Cortisone,4TMS,isomer #3C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3525.0Standard polar33892256
Cortisone,4TMS,isomer #4C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3162.3Semi standard non polar33892256
Cortisone,4TMS,isomer #4C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3094.4Standard non polar33892256
Cortisone,4TMS,isomer #4C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3537.1Standard polar33892256
Cortisone,4TMS,isomer #5C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3220.3Semi standard non polar33892256
Cortisone,4TMS,isomer #5C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3147.6Standard non polar33892256
Cortisone,4TMS,isomer #5C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3479.5Standard polar33892256
Cortisone,4TMS,isomer #6C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3056.0Semi standard non polar33892256
Cortisone,4TMS,isomer #6C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3202.4Standard non polar33892256
Cortisone,4TMS,isomer #6C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3554.1Standard polar33892256
Cortisone,4TMS,isomer #7C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3059.9Semi standard non polar33892256
Cortisone,4TMS,isomer #7C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3155.0Standard non polar33892256
Cortisone,4TMS,isomer #7C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3599.7Standard polar33892256
Cortisone,4TMS,isomer #8C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3007.7Semi standard non polar33892256
Cortisone,4TMS,isomer #8C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3223.8Standard non polar33892256
Cortisone,4TMS,isomer #8C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3609.6Standard polar33892256
Cortisone,4TMS,isomer #9C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3014.0Semi standard non polar33892256
Cortisone,4TMS,isomer #9C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3166.5Standard non polar33892256
Cortisone,4TMS,isomer #9C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3691.0Standard polar33892256
Cortisone,5TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3039.2Semi standard non polar33892256
Cortisone,5TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3257.0Standard non polar33892256
Cortisone,5TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1C2=C(O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3457.1Standard polar33892256
Cortisone,5TMS,isomer #2C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3047.5Semi standard non polar33892256
Cortisone,5TMS,isomer #2C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3208.4Standard non polar33892256
Cortisone,5TMS,isomer #2C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2C(O[Si](C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3504.3Standard polar33892256
Cortisone,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C3617.2Semi standard non polar33892256
Cortisone,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C3631.2Semi standard non polar33892256
Cortisone,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=C2[C@@H](CCC3=CC(=O)CC[C@@]32C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]2(C)C13437.5Semi standard non polar33892256
Cortisone,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C3558.2Semi standard non polar33892256
Cortisone,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=C[C@@]2(C)[C@@H](CC[C@]2(O)C(=O)CO)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]123483.4Semi standard non polar33892256
Cortisone,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]123556.0Semi standard non polar33892256
Cortisone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C3900.9Semi standard non polar33892256
Cortisone,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1C2=C(O[Si](C)(C)C(C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO3542.9Semi standard non polar33892256
Cortisone,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3566.4Semi standard non polar33892256
Cortisone,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC(=O)[C@@H]123704.1Semi standard non polar33892256
Cortisone,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=C[C@@]2(C)[C@@H](CC[C@]2(O)C(=CO)O[Si](C)(C)C(C)(C)C)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]123589.4Semi standard non polar33892256
Cortisone,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2C(O[Si](C)(C)C(C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO3570.4Semi standard non polar33892256
Cortisone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=C2[C@@H](CCC3=CC(=O)CC[C@@]32C)[C@@H]2CC[C@](O[Si](C)(C)C(C)(C)C)(C(=O)CO)[C@@]2(C)C13629.2Semi standard non polar33892256
Cortisone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C3838.8Semi standard non polar33892256
Cortisone,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O[Si](C)(C)C(C)(C)C)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]123774.7Semi standard non polar33892256
Cortisone,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=C[C@@]2(C)[C@@H](CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=O)CO)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]123701.8Semi standard non polar33892256
Cortisone,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3653.1Semi standard non polar33892256
Cortisone,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C3824.9Semi standard non polar33892256
Cortisone,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(=O)C[C@@]21C3767.1Semi standard non polar33892256
Cortisone,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3689.1Semi standard non polar33892256
Cortisone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3887.3Semi standard non polar33892256
Cortisone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3846.5Standard non polar33892256
Cortisone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3798.5Standard polar33892256
Cortisone,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3751.8Semi standard non polar33892256
Cortisone,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3773.7Standard non polar33892256
Cortisone,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3884.6Standard polar33892256
Cortisone,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3721.8Semi standard non polar33892256
Cortisone,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3816.4Standard non polar33892256
Cortisone,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3882.3Standard polar33892256
Cortisone,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(=O)C[C@@]21C3885.8Semi standard non polar33892256
Cortisone,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(=O)C[C@@]21C3702.1Standard non polar33892256
Cortisone,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(=O)C[C@@]21C3867.6Standard polar33892256
Cortisone,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3783.9Semi standard non polar33892256
Cortisone,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3610.3Standard non polar33892256
Cortisone,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3943.5Standard polar33892256
Cortisone,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3740.9Semi standard non polar33892256
Cortisone,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3640.4Standard non polar33892256
Cortisone,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3952.7Standard polar33892256
Cortisone,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1C2=C(O[Si](C)(C)C(C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C(C)(C)C3682.4Semi standard non polar33892256
Cortisone,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1C2=C(O[Si](C)(C)C(C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C(C)(C)C3693.8Standard non polar33892256
Cortisone,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1C2=C(O[Si](C)(C)C(C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C(C)(C)C3953.5Standard polar33892256
Cortisone,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2C(O[Si](C)(C)C(C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C(C)(C)C3697.3Semi standard non polar33892256
Cortisone,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2C(O[Si](C)(C)C(C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C(C)(C)C3551.1Standard non polar33892256
Cortisone,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2C(O[Si](C)(C)C(C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C(C)(C)C4022.8Standard polar33892256
Cortisone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C4086.7Semi standard non polar33892256
Cortisone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C3734.4Standard non polar33892256
Cortisone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C3756.9Standard polar33892256
Cortisone,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(=O)C[C@@]21C4025.2Semi standard non polar33892256
Cortisone,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(=O)C[C@@]21C3781.0Standard non polar33892256
Cortisone,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(=O)C[C@@]21C3756.7Standard polar33892256
Cortisone,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3932.2Semi standard non polar33892256
Cortisone,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3674.1Standard non polar33892256
Cortisone,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3796.1Standard polar33892256
Cortisone,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1C2=C(O[Si](C)(C)C(C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=O)CO3746.7Semi standard non polar33892256
Cortisone,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1C2=C(O[Si](C)(C)C(C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=O)CO3773.7Standard non polar33892256
Cortisone,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1C2=C(O[Si](C)(C)C(C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=O)CO3846.8Standard polar33892256
Cortisone,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3794.0Semi standard non polar33892256
Cortisone,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3727.8Standard non polar33892256
Cortisone,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3818.5Standard polar33892256
Cortisone,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O[Si](C)(C)C(C)(C)C)(C(=CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC(=O)[C@@H]123945.0Semi standard non polar33892256
Cortisone,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O[Si](C)(C)C(C)(C)C)(C(=CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC(=O)[C@@H]123670.6Standard non polar33892256
Cortisone,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O[Si](C)(C)C(C)(C)C)(C(=CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC(=O)[C@@H]123815.7Standard polar33892256
Cortisone,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=C[C@@]2(C)[C@@H](CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=CO)O[Si](C)(C)C(C)(C)C)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]123825.0Semi standard non polar33892256
Cortisone,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=C[C@@]2(C)[C@@H](CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=CO)O[Si](C)(C)C(C)(C)C)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]123579.1Standard non polar33892256
Cortisone,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=C[C@@]2(C)[C@@H](CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=CO)O[Si](C)(C)C(C)(C)C)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]123834.3Standard polar33892256
Cortisone,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2C(O[Si](C)(C)C(C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=O)CO3770.6Semi standard non polar33892256
Cortisone,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2C(O[Si](C)(C)C(C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=O)CO3606.8Standard non polar33892256
Cortisone,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2C(O[Si](C)(C)C(C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=O)CO3868.8Standard polar33892256
Cortisone,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3966.7Semi standard non polar33892256
Cortisone,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3944.4Standard non polar33892256
Cortisone,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3747.4Standard polar33892256
Cortisone,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3935.9Semi standard non polar33892256
Cortisone,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3961.9Standard non polar33892256
Cortisone,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3743.9Standard polar33892256
Cortisone,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(=O)C[C@@]21C4127.0Semi standard non polar33892256
Cortisone,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(=O)C[C@@]21C3870.9Standard non polar33892256
Cortisone,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(=O)C[C@@]21C3723.3Standard polar33892256
Cortisone,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C4016.1Semi standard non polar33892256
Cortisone,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3800.8Standard non polar33892256
Cortisone,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3758.1Standard polar33892256
Cortisone,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3956.6Semi standard non polar33892256
Cortisone,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3800.4Standard non polar33892256
Cortisone,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3753.3Standard polar33892256
Cortisone,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1C2=C(O[Si](C)(C)C(C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=CO)O[Si](C)(C)C(C)(C)C3896.7Semi standard non polar33892256
Cortisone,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1C2=C(O[Si](C)(C)C(C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=CO)O[Si](C)(C)C(C)(C)C3866.7Standard non polar33892256
Cortisone,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1C2=C(O[Si](C)(C)C(C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=CO)O[Si](C)(C)C(C)(C)C3817.2Standard polar33892256
Cortisone,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2C(O[Si](C)(C)C(C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=CO)O[Si](C)(C)C(C)(C)C3903.1Semi standard non polar33892256
Cortisone,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2C(O[Si](C)(C)C(C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=CO)O[Si](C)(C)C(C)(C)C3740.8Standard non polar33892256
Cortisone,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2C(O[Si](C)(C)C(C)(C)C)=C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=CO)O[Si](C)(C)C(C)(C)C3843.3Standard polar33892256
Cortisone,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3845.5Semi standard non polar33892256
Cortisone,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3897.0Standard non polar33892256
Cortisone,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21C3890.5Standard polar33892256
Cortisone,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3868.2Semi standard non polar33892256
Cortisone,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3756.9Standard non polar33892256
Cortisone,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21C3959.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Cortisone GC-EI-TOF (Non-derivatized)splash10-00kf-2910000000-da435cee921dd7b9f8e62017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Cortisone GC-EI-TOF (Non-derivatized)splash10-00kf-2910000000-da435cee921dd7b9f8e62018-05-18HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisone GC-MS (Non-derivatized) - 70eV, Positivesplash10-05ai-5879000000-d8ce750671bf51b487e22017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisone GC-MS (2 TMS) - 70eV, Positivesplash10-0f79-2918800000-ab308a6a5023c34bc22f2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisone GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisone GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-03di-0009000000-5d34de066e82cc9f0a412012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-03di-0900000000-24ec04976da03c3f9c772012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-0fdo-4900000000-d0880bfc6f3d80e4aa722012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone LC-ESI-qTof , Positive-QTOFsplash10-03di-3940000000-16be8720b1c49cea9b062017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone LC-ESI-QFT , negative-QTOFsplash10-004i-0009000000-6c22c083c2dfab97a2992017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone LC-ESI-QFT , negative-QTOFsplash10-004i-0109000000-48c96b3d1471c5cd61712017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone LC-ESI-QFT , negative-QTOFsplash10-002r-0914000000-2466a9146383b4265e422017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone LC-ESI-QFT , negative-QTOFsplash10-000i-0900000000-214430a00501054cc7742017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone LC-ESI-QFT , negative-QTOFsplash10-059j-1900000000-0e23516e07f0baf74c792017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone LC-ESI-QFT , negative-QTOFsplash10-0abj-1900000000-ad0282ab7188d9ec3dc12017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone LC-ESI-QFT , negative-QTOFsplash10-0aba-3900000000-e36e464b157b3e6159f12017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone LC-ESI-QFT , negative-QTOFsplash10-0a4j-5900000000-fe9092d76099e1e70a4e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone LC-ESI-QFT , negative-QTOFsplash10-0aou-6900000000-1b218b97a890ac7e8f452017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone Linear Ion Trap , negative-QTOFsplash10-03fr-0049000000-3bd424d473bdadd2b9b42017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone Linear Ion Trap , negative-QTOFsplash10-03di-0039000000-fd181dfb87e1cbb8ab6f2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone Linear Ion Trap , negative-QTOFsplash10-03di-0049000000-7633496a1a53bda217072017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone Linear Ion Trap , negative-QTOFsplash10-004i-0009000000-59db5e627634e4be39072017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone Linear Ion Trap , negative-QTOFsplash10-004i-0009000000-9781e204df305d722d2d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisone Linear Ion Trap , negative-QTOFsplash10-004i-0009000000-0b5e40226163a1a334db2017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cortisone 10V, Positive-QTOFsplash10-03dl-0009000000-946472abc72d41b1633c2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cortisone 20V, Positive-QTOFsplash10-003u-0149000000-efb3f94efcbdfc4688592017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cortisone 40V, Positive-QTOFsplash10-0a5j-2392000000-d014016e46f2ae8b1bd12017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cortisone 10V, Negative-QTOFsplash10-0a4i-0009000000-1c4a8c3698ff1bfa2bd92017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cortisone 20V, Negative-QTOFsplash10-0pb9-2029000000-82b546174619108311f82017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cortisone 40V, Negative-QTOFsplash10-0ab9-8093000000-47f7996c84edb1324aad2017-09-01Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-22Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
  • Endoplasmic reticulum
Biospecimen Locations
  • Blood
  • Saliva
  • Urine
Tissue Locations
  • Adipose Tissue
  • Adrenal Cortex
  • Adrenal Gland
  • Epidermis
  • Fibroblasts
  • Intestine
  • Kidney
  • Neuron
  • Placenta
  • Skeletal Muscle
  • Testis
  • Thyroid Gland
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.0411 (0.0222 - 0.0750) uMAdult (>18 years old)MaleNormal details
BloodDetected and Quantified0.0380 (0.0222 - 0.0750) uMAdult (>18 years old)FemaleNormal details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.0624 +/- 0.009 uMAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected and Quantified0.011 +/- 0.001 umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Femaleovarian cancer details
BloodDetected and Quantified0.0466 +/- 0.0071 uMAdult (>18 years old)BothDepersonalization syndrome details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MaleTooth Decay details
UrineDetected and Quantified0.0042 +/- 0.0011 umol/mmol creatinineAdult (>18 years old)Both
Systemic lupus erythematosus (SLE)		 details
UrineDetected and Quantified0.014 +/- 0.0013 umol/mmol creatinineAdult (>18 years old)Both
Systemic lupus erythematosus (SLE)		 details
UrineDetected and Quantified0.0039 +/- 0.0012 umol/mmol creatinineAdult (>18 years old)Both
Rheumatoid arthritis		 details
UrineDetected and Quantified0.0070 +/- 0.0014 umol/mmol creatinineAdult (>18 years old)Both
Rheumatoid arthritis		 details
Associated Disorders and Diseases
Disease References
Depersonalization disorder
  1. Nuller YL, Morozova MG, Kushnir ON, Hamper N: Effect of naloxone therapy on depersonalization: a pilot study. J Psychopharmacol. 2001 Jun;15(2):93-5. [PubMed:11448093 ]
Ovarian cancer
  1. Gaul DA, Mezencev R, Long TQ, Jones CM, Benigno BB, Gray A, Fernandez FM, McDonald JF: Highly-accurate metabolomic detection of early-stage ovarian cancer. Sci Rep. 2015 Nov 17;5:16351. doi: 10.1038/srep16351. [PubMed:26573008 ]
Tooth Decay
  1. Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]
Rheumatoid arthritis
  1. Straub RH, Weidler C, Demmel B, Herrmann M, Kees F, Schmidt M, Scholmerich J, Schedel J: Renal clearance and daily excretion of cortisol and adrenal androgens in patients with rheumatoid arthritis and systemic lupus erythematosus. Ann Rheum Dis. 2004 Aug;63(8):961-8. [PubMed:15249323 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023065
KNApSAcK IDNot Available
Chemspider ID193441
KEGG Compound IDC00762
BioCyc IDCORTISONE
BiGG ID35911
Wikipedia LinkCortisone
METLIN ID271
PubChem Compound222786
PDB IDNot Available
ChEBI ID16962
Food Biomarker OntologyNot Available
VMH IDCORTSN
MarkerDB IDMDB00030004
Good Scents IDNot Available
References
Synthesis ReferenceGanis, Frank M.; Axelrod, Leonard R.; Miller, Leon L. The metabolism of hydrocortisone by kidney tissue in vitro. Journal of Biological Chemistry (1956), 218 841-8.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Bolt RJ, Van Weissenbruch MM, Popp-Snijders C, Sweep FG, Lafeber HN, Delemarre-van de Waal HA: Maturity of the adrenal cortex in very preterm infants is related to gestational age. Pediatr Res. 2002 Sep;52(3):405-10. [PubMed:12193676 ]
  2. AvRuskin TW, Krishnan N, Juan CS: Congenital adrenal hypoplasia and male pseudohermaphroditism due to DAX1 mutation, SF1 mutation or neither: a patient report. J Pediatr Endocrinol Metab. 2004 Aug;17(8):1125-32. [PubMed:15379426 ]
  3. Zuber M, Miesel R, Brandl B: A patient with a high titer of antinuclear antibody and a functioning adrenal tumour. Clin Rheumatol. 1995 Jan;14(1):100-3. [PubMed:7743733 ]
  4. Edwin B, Raeder I, Trondsen E, Kaaresen R, Buanes T: Outpatient laparoscopic adrenalectomy in patients with Conn's syndrome. Surg Endosc. 2001 Jun;15(6):589-91. Epub 2001 Mar 13. [PubMed:11591947 ]
  5. Onyimba CU, Vijapurapu N, Curnow SJ, Khosla P, Stewart PM, Murray PI, Walker EA, Rauz S: Characterisation of the prereceptor regulation of glucocorticoids in the anterior segment of the rabbit eye. J Endocrinol. 2006 Aug;190(2):483-93. [PubMed:16899581 ]
  6. Weigand A, Hinzpeter B, Schicha H: [Deterioration of endocrine ophthalmology after radioiodine therapy in Graves' disease?]. Nuklearmedizin. 1998;37(7):234-8. [PubMed:9830613 ]
  7. Mark PJ, Waddell BJ: P-glycoprotein restricts access of cortisol and dexamethasone to the glucocorticoid receptor in placental BeWo cells. Endocrinology. 2006 Nov;147(11):5147-52. Epub 2006 Jul 27. [PubMed:16873536 ]
  8. Sandeep TC, Andrew R, Homer NZ, Andrews RC, Smith K, Walker BR: Increased in vivo regeneration of cortisol in adipose tissue in human obesity and effects of the 11beta-hydroxysteroid dehydrogenase type 1 inhibitor carbenoxolone. Diabetes. 2005 Mar;54(3):872-9. [PubMed:15734867 ]
  9. Pepe GJ, Albrecht ED: Regulation of the primate fetal adrenal cortex. Endocr Rev. 1990 Feb;11(1):151-76. [PubMed:2180686 ]
  10. Boman HG: Innate immunity and the normal microflora. Immunol Rev. 2000 Feb;173:5-16. [PubMed:10719663 ]
  11. Andrew R, Westerbacka J, Wahren J, Yki-Jarvinen H, Walker BR: The contribution of visceral adipose tissue to splanchnic cortisol production in healthy humans. Diabetes. 2005 May;54(5):1364-70. [PubMed:15855321 ]
  12. Sharma KK, Lindqvist A, Zhou XJ, Auchus RJ, Penning TM, Andersson S: Deoxycorticosterone inactivation by AKR1C3 in human mineralocorticoid target tissues. Mol Cell Endocrinol. 2006 Mar 27;248(1-2):79-86. Epub 2005 Dec 5. [PubMed:16337083 ]
  13. Draper N, Stewart PM: 11beta-hydroxysteroid dehydrogenase and the pre-receptor regulation of corticosteroid hormone action. J Endocrinol. 2005 Aug;186(2):251-71. [PubMed:16079253 ]
  14. Ferrari P, Bianchetti M, Frey FJ: Juvenile hypertension, the role of genetically altered steroid metabolism. Horm Res. 2001;55(5):213-23. [PubMed:11740142 ]
  15. Stormer FC, Reistad R, Alexander J: Glycyrrhizic acid in liquorice--evaluation of health hazard. Food Chem Toxicol. 1993 Apr;31(4):303-12. [PubMed:8386690 ]
  16. Jiang JQ, Wang DS, Senthilkumaran B, Kobayashi T, Kobayashi HK, Yamaguchi A, Ge W, Young G, Nagahama Y: Isolation, characterization and expression of 11beta-hydroxysteroid dehydrogenase type 2 cDNAs from the testes of Japanese eel (Anguilla japonica) and Nile tilapia (Oreochromis niloticus). J Mol Endocrinol. 2003 Oct;31(2):305-15. [PubMed:14519098 ]
  17. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Enzymes

Enzyme Details
1. 3-oxo-5-beta-steroid 4-dehydrogenase
General function:
Involved in oxidoreductase activity
Specific function:
Efficiently catalyzes the reduction of progesterone, androstenedione, 17-alpha-hydroxyprogesterone and testosterone to 5-beta-reduced metabolites. The bile acid intermediates 7-alpha,12-alpha-dihydroxy-4-cholesten-3-one and 7-alpha-hydroxy-4-cholesten-3-one can also act as substrates.
Gene Name:
AKR1D1
Uniprot ID:
P51857
Molecular weight:
32889.38
Reactions
17a,21-Dihydroxy-5b-pregnane-3,11,20-trione + NADP → Cortisonedetails
17a,21-Dihydroxy-5b-pregnane-3,11,20-trione + NADP → Cortisone + NADPH + Hydrogen Iondetails
Enzyme Details
2. Corticosteroid 11-beta-dehydrogenase isozyme 2
General function:
Involved in oxidoreductase activity
Specific function:
Catalyzes the conversion of cortisol to the inactive metabolite cortisone. Modulates intracellular glucocorticoid levels, thus protecting the nonselective mineralocorticoid receptor from occupation by glucocorticoids.
Gene Name:
HSD11B2
Uniprot ID:
P80365
Molecular weight:
44126.06
Enzyme Details
3. Corticosteroid 11-beta-dehydrogenase isozyme 1
General function:
Involved in oxidoreductase activity
Specific function:
Catalyzes reversibly the conversion of cortisol to the inactive metabolite cortisone. Catalyzes reversibly the conversion of 7-ketocholesterol to 7-beta-hydroxycholesterol. In intact cells, the reaction runs only in one direction, from 7-ketocholesterol to 7-beta-hydroxycholesterol (By similarity).
Gene Name:
HSD11B1
Uniprot ID:
P28845
Molecular weight:
32400.665
Reactions
Cortisol + NADP → Cortisone + NADPH + Hydrogen Iondetails
Enzyme Details
4. Dehydrogenase/reductase SDR family member 2
General function:
Involved in oxidoreductase activity
Specific function:
Displays NADPH-dependent dicarbonyl reductase activity in vitro with 3,4-Hexanedione, 2,3-Heptanedione and 1-Phenyl-1,2- propanedione as substrates. No reductase activity is displayed in vitro with steroids, retinoids and sugars as substrates. May inhibit cell replication
Gene Name:
DHRS2
Uniprot ID:
Q13268
Molecular weight:
27438.4