3β-Hydroxy-5α-pregnan-20-one

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Systematic / IUPAC Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

ID: Reference193

Other Names: (3β,5α)-3-Hydroxypregnan-20-one;
3β-Hydroxy-5α-tetrahydroprogesterone;
5α-Pregnan-20-one, 3β-hydroxy-;
Pregnan-20-one, 3-hydroxy-, (3β,5α)-;
Isopregnanolone ; more

Formula: C21H34O2

Class: Endogenous Metabolites

Spectral Data

3β-Hydroxy-5α-pregnan-20-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/18/2014 9:13:02 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
InChI Key AURFZBICLPNKBZ-FZCSVUEKSA-N
Canonical SMILES O=C(C)C2C1(CCC3C(C1CC2)CCC4C3(CCC(O)C4)C)C
CAS 516552
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Other Names (3β,5α)-3-Hydroxypregnan-20-one;
3β-Hydroxy-5α-tetrahydroprogesterone;
5α-Pregnan-20-one, 3β-hydroxy-;
Pregnan-20-one, 3-hydroxy-, (3β,5α)-;
Isopregnanolone;
Allopregnan-3β-ol-20-one;
5α-Pregnan-3β-ol-20-one;
3-β-Allopregnanolone;
Epiallopregnanolone

In Other Databases

Wikipedia Isopregnanolone; Pregnanolone
PubChem 92787
ChemIDPlus 000516552
HMDb HMDB01455
ChEBI CHEBI:11909
ChemSpider 83761
ChEMBL CHEMBL2057301
KEGG C15484