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12-BETA-HYDROXY-4,16-PREGNADIEN-3,20-DIONE
SpectraBase Compound ID GY8t4ZnOmqV
InChI InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h6,10,15,17-19,24H,4-5,7-9,11H2,1-3H3/t15-,17-,18-,19+,20-,21+/m0/s1
InChIKey ZTDAXWJYRPVTPO-GGLFOPPFSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AV6hlhasSt0
Name (8R,9S,10R,12R,13S,14S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Alternate Name(s) (8R,9S,10R,12R,13S,14S)-17-ethanoyl-10,13-dimethyl-12-oxidanyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h6,10,15,17-19,24H,4-5,7-9,11H2,1-3H3/t15-,17-,18-,19+,20-,21+/m0/s1
InChIKey ZTDAXWJYRPVTPO-GGLFOPPFSA-N
Molecular Weight 328.452 g/mol
SMILES O[C@]1([C@]2([C@]([C@@]3(CCC4=CC(CC[C@@]4([C@]3(C1)[H])C)=O)[H])(CC=C2C(C)=O)[H])C)[H]
SPLASH splash10-0006-9201000000-e4eb958baaa9719b941e
Source of Spectrum X2-50-198-2
Wiley ID 1602165