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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2022-03-07 02:49:07 UTC
HMDB IDHMDB0000920
Secondary Accession Numbers
  • HMDB00920
Metabolite Identification
Common Name11a-Hydroxyprogesterone
DescriptionProgesterone is a C-21 steroid hormone involved in the female menstrual cycle, pregnancy (supports gestation) and embryogenesis of humans and other species. Progesterone belongs to a class of hormones called progestagens, and is the major naturally occurring human progestagen. Progesterone's reproductive function serves to convert the endometrium to its secretory stage to prepare the uterus for implantation. If pregnancy does not occur, progesterone levels will decrease leading to menstruation in the human. Normal menstrual bleeding is a progesterone withdrawal bleeding. During implantation and gestation, progesterone appears to decrease the maternal immune response to allow for the acceptance of the pregnancy. Progesterone decreases contractility of the uterine musculature. The fetus metabolizes placental progesterone in the production of adrenal mineralo- and glucosteroids. A drop in progesterone levels is possibly one step that facilitates the onset of labor. In addition, progesterone inhibits lactation during pregnancy. The fall in progesterone levels following delivery is one of the triggers for milk production. Progesterone has an effect upon vaginal epithelium and cervical mucus.
Structure
Data?1582752165
Synonyms
ValueSource
11-HydroxyprogesteroneHMDB
11a-Hydroxy-pregn-4-ene-3,20-dioneHMDB
11a-Hydroxy-progesteroneHMDB
11a-Hydroxypregn-4-ene-3,20-dioneHMDB
4-Pregnene-11a-ol-3,20-dioneHMDB
Pregn-4-en-11a-ol-3,20-dioneHMDB
11Α-hydroxyprogesteroneHMDB
11a-HydroxyprogesteroneGenerator
Chemical FormulaC21H30O3
Average Molecular Weight330.4611
Monoisotopic Molecular Weight330.219494826
IUPAC Name(1S,2R,10S,11S,15S,17R)-14-acetyl-17-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
Traditional Name(1S,2R,10S,11S,15S,17R)-14-acetyl-17-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
CAS Registry Number312-90-3
SMILES
[H][C@@]12CCC(C(C)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
InChI Identifier
InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16?,17-,18+,19+,20-,21+/m0/s1
InChI KeyBFZHCUBIASXHPK-ODYOLWGQSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassPregnane steroids
Direct ParentGluco/mineralocorticoids, progestogins and derivatives
Alternative Parents
Substituents
  • Progestogin-skeleton
  • 20-oxosteroid
  • 3-oxo-delta-4-steroid
  • 3-oxosteroid
  • 11-hydroxysteroid
  • 11-alpha-hydroxysteroid
  • Hydroxysteroid
  • Oxosteroid
  • Delta-4-steroid
  • Cyclohexenone
  • Cyclic alcohol
  • Ketone
  • Secondary alcohol
  • Cyclic ketone
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Carbonyl group
  • Alcohol
  • Organic oxide
  • Organooxygen compound
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point222 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.05 mg/mLNot Available
LogP2.36HANSCH,C ET AL. (1995)
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.036 g/LALOGPS
logP2.65ALOGPS
logP2.84ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)18.88ChemAxon
pKa (Strongest Basic)-0.26ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area54.37 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity94.3 m³·mol⁻¹ChemAxon
Polarizability38.02 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]+180.77931661259
DarkChem[M-H]-176.38731661259
AllCCS[M+H]+183.57132859911
AllCCS[M-H]-188.66332859911
DeepCCS[M-2H]-219.34730932474
DeepCCS[M+Na]+194.55630932474
AllCCS[M+H]+183.632859911
AllCCS[M+H-H2O]+180.732859911
AllCCS[M+NH4]+186.232859911
AllCCS[M+Na]+187.032859911
AllCCS[M-H]-188.732859911
AllCCS[M+Na-2H]-189.032859911
AllCCS[M+HCOO]-189.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
11a-Hydroxyprogesterone[H][C@@]12CCC(C(C)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C3956.8Standard polar33892256
11a-Hydroxyprogesterone[H][C@@]12CCC(C(C)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C2874.8Standard non polar33892256
11a-Hydroxyprogesterone[H][C@@]12CCC(C(C)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C3180.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
11a-Hydroxyprogesterone,1TMS,isomer #1CC(=O)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O[Si](C)(C)C)C[C@]12C3054.3Semi standard non polar33892256
11a-Hydroxyprogesterone,1TMS,isomer #2CC(O[Si](C)(C)C)=C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C3074.9Semi standard non polar33892256
11a-Hydroxyprogesterone,1TMS,isomer #3CC(=O)C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C2955.2Semi standard non polar33892256
11a-Hydroxyprogesterone,1TMS,isomer #4C=C(O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C3053.3Semi standard non polar33892256
11a-Hydroxyprogesterone,2TMS,isomer #1CC(O[Si](C)(C)C)=C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O[Si](C)(C)C)C[C@]12C3005.4Semi standard non polar33892256
11a-Hydroxyprogesterone,2TMS,isomer #1CC(O[Si](C)(C)C)=C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O[Si](C)(C)C)C[C@]12C2898.4Standard non polar33892256
11a-Hydroxyprogesterone,2TMS,isomer #1CC(O[Si](C)(C)C)=C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O[Si](C)(C)C)C[C@]12C3264.2Standard polar33892256
11a-Hydroxyprogesterone,2TMS,isomer #2CC(=O)C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3[C@H](O[Si](C)(C)C)C[C@]12C2884.9Semi standard non polar33892256
11a-Hydroxyprogesterone,2TMS,isomer #2CC(=O)C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3[C@H](O[Si](C)(C)C)C[C@]12C2887.0Standard non polar33892256
11a-Hydroxyprogesterone,2TMS,isomer #2CC(=O)C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3[C@H](O[Si](C)(C)C)C[C@]12C3256.7Standard polar33892256
11a-Hydroxyprogesterone,2TMS,isomer #3C=C(O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O[Si](C)(C)C)C[C@]12C2973.2Semi standard non polar33892256
11a-Hydroxyprogesterone,2TMS,isomer #3C=C(O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O[Si](C)(C)C)C[C@]12C2866.7Standard non polar33892256
11a-Hydroxyprogesterone,2TMS,isomer #3C=C(O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O[Si](C)(C)C)C[C@]12C3331.1Standard polar33892256
11a-Hydroxyprogesterone,2TMS,isomer #4CC(O[Si](C)(C)C)=C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C2977.6Semi standard non polar33892256
11a-Hydroxyprogesterone,2TMS,isomer #4CC(O[Si](C)(C)C)=C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C2984.7Standard non polar33892256
11a-Hydroxyprogesterone,2TMS,isomer #4CC(O[Si](C)(C)C)=C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C3273.5Standard polar33892256
11a-Hydroxyprogesterone,2TMS,isomer #5C=C(O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C2928.5Semi standard non polar33892256
11a-Hydroxyprogesterone,2TMS,isomer #5C=C(O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C2964.5Standard non polar33892256
11a-Hydroxyprogesterone,2TMS,isomer #5C=C(O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C3340.7Standard polar33892256
11a-Hydroxyprogesterone,3TMS,isomer #1CC(O[Si](C)(C)C)=C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3[C@H](O[Si](C)(C)C)C[C@]12C2871.6Semi standard non polar33892256
11a-Hydroxyprogesterone,3TMS,isomer #1CC(O[Si](C)(C)C)=C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3[C@H](O[Si](C)(C)C)C[C@]12C2942.9Standard non polar33892256
11a-Hydroxyprogesterone,3TMS,isomer #1CC(O[Si](C)(C)C)=C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3[C@H](O[Si](C)(C)C)C[C@]12C3244.1Standard polar33892256
11a-Hydroxyprogesterone,3TMS,isomer #2C=C(O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3[C@H](O[Si](C)(C)C)C[C@]12C2863.1Semi standard non polar33892256
11a-Hydroxyprogesterone,3TMS,isomer #2C=C(O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3[C@H](O[Si](C)(C)C)C[C@]12C2931.1Standard non polar33892256
11a-Hydroxyprogesterone,3TMS,isomer #2C=C(O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3[C@H](O[Si](C)(C)C)C[C@]12C3298.5Standard polar33892256
11a-Hydroxyprogesterone,1TBDMS,isomer #1CC(=O)C1CC[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@]12C3289.5Semi standard non polar33892256
11a-Hydroxyprogesterone,1TBDMS,isomer #2CC(O[Si](C)(C)C(C)(C)C)=C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C3311.4Semi standard non polar33892256
11a-Hydroxyprogesterone,1TBDMS,isomer #3CC(=O)C1CC[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@]12C3204.0Semi standard non polar33892256
11a-Hydroxyprogesterone,1TBDMS,isomer #4C=C(O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C3292.2Semi standard non polar33892256
11a-Hydroxyprogesterone,2TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)=C1CC[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@]12C3480.5Semi standard non polar33892256
11a-Hydroxyprogesterone,2TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)=C1CC[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@]12C3409.2Standard non polar33892256
11a-Hydroxyprogesterone,2TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)=C1CC[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@]12C3501.9Standard polar33892256
11a-Hydroxyprogesterone,2TBDMS,isomer #2CC(=O)C1CC[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@]12C3347.9Semi standard non polar33892256
11a-Hydroxyprogesterone,2TBDMS,isomer #2CC(=O)C1CC[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@]12C3351.8Standard non polar33892256
11a-Hydroxyprogesterone,2TBDMS,isomer #2CC(=O)C1CC[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@]12C3482.3Standard polar33892256
11a-Hydroxyprogesterone,2TBDMS,isomer #3C=C(O[Si](C)(C)C(C)(C)C)C1CC[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@]12C3443.5Semi standard non polar33892256
11a-Hydroxyprogesterone,2TBDMS,isomer #3C=C(O[Si](C)(C)C(C)(C)C)C1CC[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@]12C3380.4Standard non polar33892256
11a-Hydroxyprogesterone,2TBDMS,isomer #3C=C(O[Si](C)(C)C(C)(C)C)C1CC[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@]12C3544.2Standard polar33892256
11a-Hydroxyprogesterone,2TBDMS,isomer #4CC(O[Si](C)(C)C(C)(C)C)=C1CC[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@]12C3455.1Semi standard non polar33892256
11a-Hydroxyprogesterone,2TBDMS,isomer #4CC(O[Si](C)(C)C(C)(C)C)=C1CC[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@]12C3407.2Standard non polar33892256
11a-Hydroxyprogesterone,2TBDMS,isomer #4CC(O[Si](C)(C)C(C)(C)C)=C1CC[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@]12C3512.3Standard polar33892256
11a-Hydroxyprogesterone,2TBDMS,isomer #5C=C(O[Si](C)(C)C(C)(C)C)C1CC[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@]12C3395.0Semi standard non polar33892256
11a-Hydroxyprogesterone,2TBDMS,isomer #5C=C(O[Si](C)(C)C(C)(C)C)C1CC[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@]12C3395.5Standard non polar33892256
11a-Hydroxyprogesterone,2TBDMS,isomer #5C=C(O[Si](C)(C)C(C)(C)C)C1CC[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@]12C3556.9Standard polar33892256
11a-Hydroxyprogesterone,3TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)=C1CC[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@]12C3506.3Semi standard non polar33892256
11a-Hydroxyprogesterone,3TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)=C1CC[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@]12C3556.0Standard non polar33892256
11a-Hydroxyprogesterone,3TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)=C1CC[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@]12C3525.8Standard polar33892256
11a-Hydroxyprogesterone,3TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)C1CC[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@]12C3502.1Semi standard non polar33892256
11a-Hydroxyprogesterone,3TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)C1CC[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@]12C3553.4Standard non polar33892256
11a-Hydroxyprogesterone,3TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)C1CC[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@]12C3544.1Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 11a-Hydroxyprogesterone GC-MS (Non-derivatized) - 70eV, Positivesplash10-060c-1953000000-b1a4b33b602a8015fa692017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11a-Hydroxyprogesterone GC-MS (1 TMS) - 70eV, Positivesplash10-00ei-2429000000-079db188a5d002efdb6b2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11a-Hydroxyprogesterone GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11a-Hydroxyprogesterone GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11a-Hydroxyprogesterone GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11a-Hydroxyprogesterone GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11a-Hydroxyprogesterone GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11a-Hydroxyprogesterone GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11a-Hydroxyprogesterone GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11a-Hydroxyprogesterone GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 11a-Hydroxyprogesterone GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - 11a-Hydroxyprogesterone Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-001i-0009000000-3dea6ae65884847d2d232012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 11a-Hydroxyprogesterone Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-00di-3920000000-f68bb1cfb59fc92b2b292012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 11a-Hydroxyprogesterone Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-006y-9800000000-c9be24b1a08fbdae76882012-07-24HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11a-Hydroxyprogesterone 10V, Positive-QTOFsplash10-03e9-0019000000-bf6b2487f64f20d9b0bc2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11a-Hydroxyprogesterone 20V, Positive-QTOFsplash10-03ej-0396000000-92a340550f7481b380222017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11a-Hydroxyprogesterone 40V, Positive-QTOFsplash10-0zfu-4191000000-1c0ef35ebf478850133d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11a-Hydroxyprogesterone 10V, Negative-QTOFsplash10-004i-0009000000-f02ca96a4e201dad8f5f2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11a-Hydroxyprogesterone 20V, Negative-QTOFsplash10-004i-0019000000-394e7b1e14943d144acf2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11a-Hydroxyprogesterone 40V, Negative-QTOFsplash10-03dr-1195000000-470cc2622e09566ebf952017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11a-Hydroxyprogesterone 10V, Negative-QTOFsplash10-004i-0009000000-3acdbd949ad93c49c37e2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11a-Hydroxyprogesterone 20V, Negative-QTOFsplash10-004i-0029000000-7853a5e8535805da7f8a2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11a-Hydroxyprogesterone 40V, Negative-QTOFsplash10-000t-0192000000-a1d7b9a7a78d30b7da272021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11a-Hydroxyprogesterone 10V, Positive-QTOFsplash10-001i-0009000000-bbcb8feda689de8948d52021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11a-Hydroxyprogesterone 20V, Positive-QTOFsplash10-03ei-1293000000-97a70cab30be8e37a1a02021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 11a-Hydroxyprogesterone 40V, Positive-QTOFsplash10-08fu-3690000000-bfbef046ba46172a38442021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)2012-12-04Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, CDCl3, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane (predicted from logP)
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022318
KNApSAcK IDNot Available
Chemspider ID389106
KEGG Compound IDC03747
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID5873
PubChem Compound440105
PDB IDNot Available
ChEBI ID16076
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis Reference11b-Hydroxylation of steroids. (1957), GB 769999 19570313 CAN 51:64205 AN 1957:64205
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Blau N, Zachmann M, Kempken B, Staudenmann W, Mohr E, Curtius HC: Identification of new steroids in patients with 17 alpha-hydroxylase deficiency by capillary gas chromatography/mass spectrometry. Biomed Environ Mass Spectrom. 1987 Nov;14(11):633-7. [PubMed:2962669 ]
  2. van der Willigen AH, Peereboom-Wynia JD, van Joost T, Stolz E: A preliminary study of the effect of 11a-hydroxyprogesterone on the hair growth in men suffering from androgenetic alopecia. Acta Derm Venereol. 1987;67(1):82-5. [PubMed:2436423 ]
  3. Iudaev NA, Afinogenova SA: [Pathways of corticosteroid biosynthesis in human adrenals (Itsenko-Cushing disease)]. Biokhimiia. 1976 Sep;41(9):1619-27. [PubMed:974176 ]