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Pregna-4,6-dien-3-one, 20-hydroxy-, (20S)-
SpectraBase Compound ID FNNXzaUx7SY
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/h4-5,12-13,16-19,22H,6-11H2,1-3H3
InChIKey IQPNZLYVKOVQGH-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 KU8bJ7BvRt3
Name Pregna-4,6-dien-3-one, 20-hydroxy-, (20S)-
Alternate Name(s) 17-(1-hydroxyethyl)-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one Cybisterone Pregna-4,6-dien-3-one, 20.alpha.-hydroxy-
CAS Registry Number 15271-87-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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/h4-5,12-13,16-19,22H,6-11H2,1-3H3
InChIKey IQPNZLYVKOVQGH-UHFFFAOYSA-N
Molecular Weight 314.469 g/mol
SMILES OC(C1C2(C(C3C(C4(C)C(C=C3)=CC(CC4)=O)CC2)CC1)C)C
SPLASH splash10-000b-7950000000-0cdcbf2664a28473d889
Source of Spectrum AD-0-1197-0
Wiley ID 46909