For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3a-Hydroxy-5.beta.-pregnan-20-one
SpectraBase Compound ID 4hYE87dn8D0
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
InChIKey AURFZBICLPNKBZ-UHFFFAOYSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KangGm09Jut
Name 3.ALPHA.-HYDROXY-5.BETA.-PREGNAN-20-ONE
Alternate Name(s) PREGNANOLONE 3-HYDROXYPREGNAN-20-ONE
CAS Registry Number 128-20-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H34O2
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
InChIKey AURFZBICLPNKBZ-UHFFFAOYSA-N
Nominal Mass 318 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES CC12CCC(O)CC2CCC2C3CCC(C3(CCC12)C)C(=O)C
SPLASH splash10-0frx-9642000000-917e13ce922cade9adeb
Source File Reference LMCM-62646-188K
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany