Hmdb loader
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2022-03-07 02:49:02 UTC
HMDB IDHMDB0000418
Secondary Accession Numbers
  • HMDB00418
Metabolite Identification
Common Name18-Hydroxycortisol
Description18-Hydroxycortisol is a derivative of cortIsolated It may be synthesized by zona fasciculata 11-beta hydroxylase in normal human adrenal cortex. (PMID 15356073 ; 1751390) Overproduction of 18-hydroxycortisol is an aid in the detection of Glucocorticoid-remediable aldosteronism which is an inherited form of mineralocorticoid excess associated with moderate overproduction of aldosterone, in which biochemical and clinical remission is dramatically induced by small amounts of glucocorticoids.(PMID: 1879399 ).
Structure
Data?1582752130
Synonyms
ValueSource
11,17,18,21-Tetrahydroxy-pregn-4-ene-3,20-dioneHMDB
Chemical FormulaC21H30O6
Average Molecular Weight378.4593
Monoisotopic Molecular Weight378.204238692
IUPAC Name(1S,2R,10S,11S,14S,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-15-(hydroxymethyl)-2-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one
Traditional Name18-hydroxycortisol
CAS Registry Number86002-90-6
SMILES
[H][C@@]12CC[C@@](O)(C(=O)CO)[C@@]1(CO)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
InChI Identifier
InChI=1S/C21H30O6/c1-19-6-4-13(24)8-12(19)2-3-14-15-5-7-21(27,17(26)10-22)20(15,11-23)9-16(25)18(14)19/h8,14-16,18,22-23,25,27H,2-7,9-11H2,1H3/t14-,15-,16-,18+,19-,20+,21+/m0/s1
InChI KeyHESFZGWRDUVOMS-FJNAKSJRSA-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
  • 20-oxosteroid
  • Pregnane-skeleton
  • 18-hydroxysteroid
  • 3-oxo-delta-4-steroid
  • 3-oxosteroid
  • Oxosteroid
  • 11-beta-hydroxysteroid
  • 11-hydroxysteroid
  • 17-hydroxysteroid
  • Delta-4-steroid
  • Cyclohexenone
  • Cyclic alcohol
  • Tertiary alcohol
  • Alpha-hydroxy ketone
  • Secondary alcohol
  • Ketone
  • Cyclic ketone
  • Primary alcohol
  • Alcohol
  • Organooxygen compound
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
  • C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives (LMST02030193 )
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.34 g/LALOGPS
logP0.65ALOGPS
logP-0.0056ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)12.51ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area115.06 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity99.17 m³·mol⁻¹ChemAxon
Polarizability40.12 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]+188.73631661259
DarkChem[M-H]-186.6931661259
AllCCS[M+H]+190.83132859911
AllCCS[M-H]-194.57332859911
DeepCCS[M-2H]-225.68830932474
DeepCCS[M+Na]+200.72430932474
AllCCS[M+H]+190.832859911
AllCCS[M+H-H2O]+188.432859911
AllCCS[M+NH4]+193.132859911
AllCCS[M+Na]+193.732859911
AllCCS[M-H]-194.632859911
AllCCS[M+Na-2H]-194.932859911
AllCCS[M+HCOO]-195.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
18-Hydroxycortisol[H][C@@]12CC[C@@](O)(C(=O)CO)[C@@]1(CO)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C3366.5Standard polar33892256
18-Hydroxycortisol[H][C@@]12CC[C@@](O)(C(=O)CO)[C@@]1(CO)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C3269.7Standard non polar33892256
18-Hydroxycortisol[H][C@@]12CC[C@@](O)(C(=O)CO)[C@@]1(CO)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C3634.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
18-Hydroxycortisol,1TMS,isomer #1C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO)[C@@]3(CO)C[C@H](O)[C@@H]123492.0Semi standard non polar33892256
18-Hydroxycortisol,1TMS,isomer #2C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO[Si](C)(C)C)[C@@]3(CO)C[C@H](O)[C@@H]123497.0Semi standard non polar33892256
18-Hydroxycortisol,1TMS,isomer #3C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123447.2Semi standard non polar33892256
18-Hydroxycortisol,1TMS,isomer #4C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123450.8Semi standard non polar33892256
18-Hydroxycortisol,1TMS,isomer #5C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O)[C@@H]123452.7Semi standard non polar33892256
18-Hydroxycortisol,1TMS,isomer #6C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO)[C@@]3(CO)C[C@H](O)[C@@H]123425.7Semi standard non polar33892256
18-Hydroxycortisol,2TMS,isomer #1C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)[C@@]3(CO)C[C@H](O)[C@@H]123519.6Semi standard non polar33892256
18-Hydroxycortisol,2TMS,isomer #10C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123355.9Semi standard non polar33892256
18-Hydroxycortisol,2TMS,isomer #11C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123357.7Semi standard non polar33892256
18-Hydroxycortisol,2TMS,isomer #12C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123369.7Semi standard non polar33892256
18-Hydroxycortisol,2TMS,isomer #13C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123346.5Semi standard non polar33892256
18-Hydroxycortisol,2TMS,isomer #14C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123354.7Semi standard non polar33892256
18-Hydroxycortisol,2TMS,isomer #15C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O)[C@@H]123355.6Semi standard non polar33892256
18-Hydroxycortisol,2TMS,isomer #2C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123470.6Semi standard non polar33892256
18-Hydroxycortisol,2TMS,isomer #3C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123400.2Semi standard non polar33892256
18-Hydroxycortisol,2TMS,isomer #4C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO)[C@@]3(CO)C[C@H](O)[C@@H]123402.7Semi standard non polar33892256
18-Hydroxycortisol,2TMS,isomer #5C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O)[C@@H]123427.7Semi standard non polar33892256
18-Hydroxycortisol,2TMS,isomer #6C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123432.3Semi standard non polar33892256
18-Hydroxycortisol,2TMS,isomer #7C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO[Si](C)(C)C)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123434.9Semi standard non polar33892256
18-Hydroxycortisol,2TMS,isomer #8C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO[Si](C)(C)C)[C@@]3(CO)C[C@H](O)[C@@H]123424.9Semi standard non polar33892256
18-Hydroxycortisol,2TMS,isomer #9C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O)[C@@H]123469.0Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #1C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123489.8Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #10C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O)[C@@H]123323.8Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #11C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123321.0Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #12C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123318.3Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #13C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123370.4Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #14C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO[Si](C)(C)C)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123312.7Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #15C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123347.4Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #16C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O)[C@@H]123344.3Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #17C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123238.5Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #18C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123242.9Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #19C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123271.3Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #2C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123411.3Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #20C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123226.2Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #3C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)[C@@]3(CO)C[C@H](O)[C@@H]123395.7Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #4C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O)[C@@H]123432.5Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #5C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123362.8Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #6C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123370.0Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #7C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123384.1Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #8C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123295.4Semi standard non polar33892256
18-Hydroxycortisol,3TMS,isomer #9C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123306.1Semi standard non polar33892256
18-Hydroxycortisol,4TMS,isomer #1C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123399.5Semi standard non polar33892256
18-Hydroxycortisol,4TMS,isomer #10C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123235.4Semi standard non polar33892256
18-Hydroxycortisol,4TMS,isomer #11C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123216.8Semi standard non polar33892256
18-Hydroxycortisol,4TMS,isomer #12C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123245.8Semi standard non polar33892256
18-Hydroxycortisol,4TMS,isomer #13C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123239.7Semi standard non polar33892256
18-Hydroxycortisol,4TMS,isomer #14C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123241.1Semi standard non polar33892256
18-Hydroxycortisol,4TMS,isomer #15C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123164.9Semi standard non polar33892256
18-Hydroxycortisol,4TMS,isomer #2C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123366.1Semi standard non polar33892256
18-Hydroxycortisol,4TMS,isomer #3C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123392.6Semi standard non polar33892256
18-Hydroxycortisol,4TMS,isomer #4C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123314.1Semi standard non polar33892256
18-Hydroxycortisol,4TMS,isomer #5C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123328.8Semi standard non polar33892256
18-Hydroxycortisol,4TMS,isomer #6C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O)[C@@H]123305.8Semi standard non polar33892256
18-Hydroxycortisol,4TMS,isomer #7C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123280.3Semi standard non polar33892256
18-Hydroxycortisol,4TMS,isomer #8C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123270.0Semi standard non polar33892256
18-Hydroxycortisol,4TMS,isomer #9C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123291.6Semi standard non polar33892256
18-Hydroxycortisol,5TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123287.9Semi standard non polar33892256
18-Hydroxycortisol,5TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123428.3Standard non polar33892256
18-Hydroxycortisol,5TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=O)CO[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123585.4Standard polar33892256
18-Hydroxycortisol,5TMS,isomer #2C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123296.5Semi standard non polar33892256
18-Hydroxycortisol,5TMS,isomer #2C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123327.6Standard non polar33892256
18-Hydroxycortisol,5TMS,isomer #2C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123609.4Standard polar33892256
18-Hydroxycortisol,5TMS,isomer #3C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123276.6Semi standard non polar33892256
18-Hydroxycortisol,5TMS,isomer #3C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123483.5Standard non polar33892256
18-Hydroxycortisol,5TMS,isomer #3C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O)[C@@H]123702.5Standard polar33892256
18-Hydroxycortisol,5TMS,isomer #4C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123238.0Semi standard non polar33892256
18-Hydroxycortisol,5TMS,isomer #4C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123429.7Standard non polar33892256
18-Hydroxycortisol,5TMS,isomer #4C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO)C[C@H](O[Si](C)(C)C)[C@@H]123718.5Standard polar33892256
18-Hydroxycortisol,5TMS,isomer #5C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123224.4Semi standard non polar33892256
18-Hydroxycortisol,5TMS,isomer #5C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123378.0Standard non polar33892256
18-Hydroxycortisol,5TMS,isomer #5C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123680.9Standard polar33892256
18-Hydroxycortisol,5TMS,isomer #6C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123171.1Semi standard non polar33892256
18-Hydroxycortisol,5TMS,isomer #6C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123400.7Standard non polar33892256
18-Hydroxycortisol,5TMS,isomer #6C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123749.2Standard polar33892256
18-Hydroxycortisol,6TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123226.6Semi standard non polar33892256
18-Hydroxycortisol,6TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123407.3Standard non polar33892256
18-Hydroxycortisol,6TMS,isomer #1C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O[Si](C)(C)C)(C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]123577.1Standard polar33892256
18-Hydroxycortisol,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]3[C@@H](O)C[C@@]21CO3756.5Semi standard non polar33892256
18-Hydroxycortisol,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]3[C@@H](O)C[C@@]21CO3793.1Semi standard non polar33892256
18-Hydroxycortisol,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CO3717.4Semi standard non polar33892256
18-Hydroxycortisol,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@@]2(CO)[C@@H](CC[C@@]2(O)C(=O)CO)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]123695.6Semi standard non polar33892256
18-Hydroxycortisol,1TBDMS,isomer #5CC(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]3[C@@H](O)C[C@@]21CO3697.4Semi standard non polar33892256
18-Hydroxycortisol,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(CO)C[C@H](O)[C@@H]123702.1Semi standard non polar33892256
18-Hydroxycortisol,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]3[C@@H](O)C[C@@]21CO4029.1Semi standard non polar33892256
18-Hydroxycortisol,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@]12C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CO3833.0Semi standard non polar33892256
18-Hydroxycortisol,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CO3851.3Semi standard non polar33892256
18-Hydroxycortisol,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=CO)O[Si](C)(C)C(C)(C)C3842.4Semi standard non polar33892256
18-Hydroxycortisol,2TBDMS,isomer #13CC(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]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21CO3812.2Semi standard non polar33892256
18-Hydroxycortisol,2TBDMS,isomer #14CC(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(CO)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]123811.4Semi standard non polar33892256
18-Hydroxycortisol,2TBDMS,isomer #15CC(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(CO)C[C@H](O)[C@@H]123842.5Semi standard non polar33892256
18-Hydroxycortisol,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@@]2(CO)[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]123859.1Semi standard non polar33892256
18-Hydroxycortisol,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)CO3972.0Semi standard non polar33892256
18-Hydroxycortisol,2TBDMS,isomer #4CC(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]3[C@@H](O)C[C@@]21CO3907.2Semi standard non polar33892256
18-Hydroxycortisol,2TBDMS,isomer #5CC(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(CO)C[C@H](O)[C@@H]123910.1Semi standard non polar33892256
18-Hydroxycortisol,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)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21CO3932.4Semi standard non polar33892256
18-Hydroxycortisol,2TBDMS,isomer #7CC(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]3[C@@H](O)C[C@@]21CO[Si](C)(C)C(C)(C)C3956.4Semi standard non polar33892256
18-Hydroxycortisol,2TBDMS,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)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21CO3956.8Semi standard non polar33892256
18-Hydroxycortisol,2TBDMS,isomer #9CC(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]3[C@@H](O)C[C@@]21CO3933.9Semi standard non polar33892256
18-Hydroxycortisol,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)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21CO4111.1Semi standard non polar33892256
18-Hydroxycortisol,3TBDMS,isomer #10CC(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(CO)C[C@H](O)[C@@H]124041.2Semi standard non polar33892256
18-Hydroxycortisol,3TBDMS,isomer #11CC(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]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21CO[Si](C)(C)C(C)(C)C4045.9Semi standard non polar33892256
18-Hydroxycortisol,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)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21CO4032.1Semi standard non polar33892256
18-Hydroxycortisol,3TBDMS,isomer #13CC(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]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21CO3995.9Semi standard non polar33892256
18-Hydroxycortisol,3TBDMS,isomer #14CC(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]3[C@@H](O)C[C@@]21CO[Si](C)(C)C(C)(C)C4088.6Semi standard non polar33892256
18-Hydroxycortisol,3TBDMS,isomer #15CC(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]3[C@@H](O)C[C@@]21CO[Si](C)(C)C(C)(C)C4063.0Semi standard non polar33892256
18-Hydroxycortisol,3TBDMS,isomer #16CC(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]3[C@@H](O)C[C@@]21CO4048.6Semi standard non polar33892256
18-Hydroxycortisol,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC[C@]12C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CO3914.0Semi standard non polar33892256
18-Hydroxycortisol,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC[C@]12C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=CO)O[Si](C)(C)C(C)(C)C3951.3Semi standard non polar33892256
18-Hydroxycortisol,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=CO)O[Si](C)(C)C(C)(C)C3983.0Semi standard non polar33892256
18-Hydroxycortisol,3TBDMS,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)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21CO[Si](C)(C)C(C)(C)C4243.3Semi standard non polar33892256
18-Hydroxycortisol,3TBDMS,isomer #20CC(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(CO)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]123921.1Semi standard non polar33892256
18-Hydroxycortisol,3TBDMS,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)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21CO4140.0Semi standard non polar33892256
18-Hydroxycortisol,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[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21CO4133.7Semi standard non polar33892256
18-Hydroxycortisol,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@]12C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)CO4056.5Semi standard non polar33892256
18-Hydroxycortisol,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)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21CO4008.1Semi standard non polar33892256
18-Hydroxycortisol,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(=O)CO)[C@@]3(CO)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]123974.3Semi standard non polar33892256
18-Hydroxycortisol,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)CO4085.1Semi standard non polar33892256
18-Hydroxycortisol,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O[Si](C)(C)C(C)(C)C)C(=CO)O[Si](C)(C)C(C)(C)C4114.7Semi standard non polar33892256
18-Hydroxycortisol,4TBDMS,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]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21CO[Si](C)(C)C(C)(C)C4303.4Semi standard non polar33892256
18-Hydroxycortisol,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@]2(O[Si](C)(C)C(C)(C)C)C(=CO)O[Si](C)(C)C(C)(C)C4210.3Semi standard non polar33892256
18-Hydroxycortisol,4TBDMS,isomer #11CC(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]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21CO[Si](C)(C)C(C)(C)C4154.2Semi standard non polar33892256
18-Hydroxycortisol,4TBDMS,isomer #12CC(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]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21CO[Si](C)(C)C(C)(C)C4110.7Semi standard non polar33892256
18-Hydroxycortisol,4TBDMS,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[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21CO4096.2Semi standard non polar33892256
18-Hydroxycortisol,4TBDMS,isomer #14CC(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]3[C@@H](O)C[C@@]21CO[Si](C)(C)C(C)(C)C4168.3Semi standard non polar33892256
18-Hydroxycortisol,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC[C@]12C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=CO)O[Si](C)(C)C(C)(C)C4040.6Semi standard non polar33892256
18-Hydroxycortisol,4TBDMS,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]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21CO4214.9Semi standard non polar33892256
18-Hydroxycortisol,4TBDMS,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]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21CO4175.5Semi standard non polar33892256
18-Hydroxycortisol,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]3[C@@H](O)C[C@@]21CO[Si](C)(C)C(C)(C)C4335.7Semi standard non polar33892256
18-Hydroxycortisol,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]3[C@@H](O)C[C@@]21CO[Si](C)(C)C(C)(C)C4304.6Semi standard non polar33892256
18-Hydroxycortisol,4TBDMS,isomer #6CC(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]3[C@@H](O)C[C@@]21CO4241.2Semi standard non polar33892256
18-Hydroxycortisol,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@]12C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)CO4120.8Semi standard non polar33892256
18-Hydroxycortisol,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@]12C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O[Si](C)(C)C(C)(C)C)C(=CO)O[Si](C)(C)C(C)(C)C4203.2Semi standard non polar33892256
18-Hydroxycortisol,4TBDMS,isomer #9CC(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(CO)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]124106.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4l-4779000000-2bb9f7e541c62a5cb2912017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (4 TMS) - 70eV, Positivesplash10-0udi-1310049000-78dabd8f1117068dc3582017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxycortisol GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxycortisol 10V, Positive-QTOFsplash10-03dl-0009000000-7e8008133197ceb480da2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxycortisol 20V, Positive-QTOFsplash10-01ox-0129000000-48dce5fa9bdaef3b40292016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxycortisol 40V, Positive-QTOFsplash10-0umi-1495000000-0e106a49ac4f28131a202016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxycortisol 10V, Negative-QTOFsplash10-004i-0009000000-4748801976957fb61cb22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxycortisol 20V, Negative-QTOFsplash10-0ar0-1019000000-8fad906ec6f24e3039092016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxycortisol 40V, Negative-QTOFsplash10-0ap0-7069000000-b2f0c77161e8d7c512522016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxycortisol 10V, Negative-QTOFsplash10-004i-0009000000-4f5f87ae9228aab1b8172021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxycortisol 20V, Negative-QTOFsplash10-052r-8094000000-3d27be7f890388ba67782021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxycortisol 40V, Negative-QTOFsplash10-0k9i-3096000000-fdf48515ce9baff2b3b82021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxycortisol 10V, Positive-QTOFsplash10-004i-0009000000-6cbe9a12945ddf64dc7d2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxycortisol 20V, Positive-QTOFsplash10-0h00-0309000000-92656ba47075b68232182021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxycortisol 40V, Positive-QTOFsplash10-0a4j-3390000000-1f0880a380905aecc7e32021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Feces
  • Urine
Tissue Locations
  • Spleen
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.003290 +/- 0.000175 uMAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedInfant (0-1 year old)Both
Normal
details
UrineDetected and Quantified0.20 +/-0.11 umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedNewborn (0-30 days old)Both
Sepsis
details
Associated Disorders and Diseases
Disease References
Sepsis
  1. Stewart CJ, Embleton ND, Marrs ECL, Smith DP, Fofanova T, Nelson A, Skeath T, Perry JD, Petrosino JF, Berrington JE, Cummings SP: Longitudinal development of the gut microbiome and metabolome in preterm neonates with late onset sepsis and healthy controls. Microbiome. 2017 Jul 12;5(1):75. doi: 10.1186/s40168-017-0295-1. [PubMed:28701177 ]
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022033
KNApSAcK IDNot Available
Chemspider ID24840620
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia Link18-Hydroxycortisol
METLIN ID5407
PubChem Compound44263343
PDB IDNot Available
ChEBI ID89455
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceGomez-Sanchez, Celso E.; Kirk, David N.; Farrant, R. Duncan; Milewich, Leon. 18-Substituted steroids: synthesis of 18-hydroxycortisol (11b,17a,18,21-tetrahydroxy-4-pregnene-3,20-dione) and 18-hydroxycortisone (17a,18,21-trihydroxy-4-pregnene-3,11,20-trione). Journal of Steroid Biochemistry (1985), 22(1), 141-6.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Corrie JE, Edwards CR, Jones DB, Padfield PL, Budd PS: Factors affecting the secretion of 18-hydroxycortisol, a novel steroid of relevance to Conn's syndrome. Clin Endocrinol (Oxf). 1985 Nov;23(5):579-86. [PubMed:3002670 ]
  2. Rich GM, Ulick S, Cook S, Wang JZ, Lifton RP, Dluhy RG: Glucocorticoid-remediable aldosteronism in a large kindred: clinical spectrum and diagnosis using a characteristic biochemical phenotype. Ann Intern Med. 1992 May 15;116(10):813-20. [PubMed:1567095 ]
  3. Corrie JE, Edwards CR, Budd PS: A radioimmunoassay for 18-hydroxycortisol in plasma and urine. Clin Chem. 1985 Jun;31(6):849-52. [PubMed:3995762 ]
  4. Kohno H, Sato S, Chiba H, Kobayashi K, Ikegawa S, Kurosawa T, Tohma M: Monoclonal antibodies specific for 18-hydroxycortisol and their use in an enzyme immunoassay for human urinary 18-hydroxycortisol for diagnosis of primary aldosteronism. Clin Biochem. 1994 Aug;27(4):277-82. [PubMed:8001289 ]
  5. Freel EM, Shakerdi LA, Friel EC, Wallace AM, Davies E, Fraser R, Connell JM: Studies on the origin of circulating 18-hydroxycortisol and 18-oxocortisol in normal human subjects. J Clin Endocrinol Metab. 2004 Sep;89(9):4628-33. [PubMed:15356073 ]
  6. Ulick S: Two uncommon causes of mineralocorticoid excess. Syndrome of apparent mineralocorticoid excess and glucocorticoid-remediable aldosteronism. Endocrinol Metab Clin North Am. 1991 Jun;20(2):269-76. [PubMed:1879399 ]