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PREGN-5-ENE-3,20-DIOL, (3beta,20R)-
SpectraBase Compound ID 85aTxMUdOPS
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/h4,13,15-19,22-23H,5-12H2,1-3H3
InChIKey QAAQQTDJEXMIMF-UHFFFAOYSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RQoCKPWHxZ
Name 3.BETA.,20.ALPHA.-DIHYDROXY-PREGN-5-ENE
Alternate Name(s) PREGN-5-ENE-3,20-DIOL
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/h4,13,15-19,22-23H,5-12H2,1-3H3
InChIKey QAAQQTDJEXMIMF-UHFFFAOYSA-N
Nominal Mass 318 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CC=C4C3(C)CCC(O)C4)C2CCC1C(C)O
SPLASH splash10-0aos-6932000000-5decfb2b65057f7ade0b
Source File Reference LMCM-73878-536P
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany