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Pregna-5,16-dien-20-one, 3-hydroxy-, (3.beta.)-
SpectraBase Compound ID JKD934mcEA2
InChI InChI=1S/C21H30O2/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/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3
InChIKey YLFRRPUBVUAHSR-UHFFFAOYSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKyRhRQIPV5
Name 3.BETA.-HYDROXY-PREGNA-5,16-DIENE-20-ONE
Alternate Name(s) 3-HYDROXYPREGNA-5,16-DIEN-20-ONE
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/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/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3
InChIKey YLFRRPUBVUAHSR-UHFFFAOYSA-N
Nominal Mass 314 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CC=C4C3(C)CCC(O)C4)C2CC=C1C(C)=O
SPLASH splash10-01ox-9843000000-767867b07e64d4f9651b
Source File Reference LMCM-48935-492C
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany