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PREGNA-5,20-DIEN-3-BETA-OL
SpectraBase Compound ID 94efOWR5zhu
InChI InChI=1S/C21H32O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4-5,14,16-19,22H,1,6-13H2,2-3H3/t14-,16-,17-,18-,19-,20+,21-/m0/s1
InChIKey AXSZNOPJKXHJAB-UZCUGSDUSA-N
Mol Weight 300.5 g/mol
Molecular Formula C21H32O
Exact Mass 300.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEkVpAkzfEM
Name (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-vinyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Alternate Name(s) (3S,8S,9S,10R,13R,14S,17R)-17-ethenyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 21321-88-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O
InChI InChI=1S/C21H32O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4-5,14,16-19,22H,1,6-13H2,2-3H3/t14-,16-,17-,18-,19-,20+,21-/m0/s1
InChIKey AXSZNOPJKXHJAB-UZCUGSDUSA-N
Molecular Weight 300.486 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)(C=C)[H])[H])[H])C1)C)[H]
SPLASH splash10-000x-9550000000-1b3fcfd127e51516caa2
Source of Spectrum KC-1979-2066-0
Wiley ID 1303467