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3,6-Dihydroxypregnan-20-one
SpectraBase Compound ID 8rfD0tQ0zXD
InChI InChI=1S/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h13-19,23-24H,4-11H2,1-3H3
InChIKey HHUZGDMRRLQZIQ-UHFFFAOYSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdcTxjHfF07
Name 3.ALPHA.,6.ALPHA.-DIHYDROXY-5.BETA.-PREGNAN-20-ONE
Alternate Name(s) 3,6-DIHYDROXYPREGNAN-20-ONE
CAS Registry Number 570-78-5
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h13-19,23-24H,4-11H2,1-3H3
InChIKey HHUZGDMRRLQZIQ-UHFFFAOYSA-N
Nominal Mass 334 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES CC12CCC(O)CC2C(O)CC2C3CCC(C3(CCC12)C)C(=O)C
SPLASH splash10-00kg-9431000000-da2b356c5fcfa95c33ed
Source File Reference LMCM-78931-067X
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany