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(5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-vinyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

View entire compound with spectra: 2 MS (GC)

(5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-vinyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID LKuWABSmNDj
InChI InChI=1S/C21H30O/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/h4,9,11,14-15,17-19H,1,5-8,10,12-13H2,2-3H3/t14-,15-,17-,18-,19-,20+,21-/m0/s1
InChIKey JIFKGXKDITUDPD-PMJYHDSJSA-N
Mol Weight 298.47 g/mol
Molecular Formula C21H30O
Exact Mass 298.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Rb0fYMzfY4
Name (5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-vinyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Alternate Name(s) (5S,8S,9S,10R,13R,14S,17R)-17-ethenyl-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Registry Number 65754-62-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O
InChI InChI=1S/C21H30O/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/h4,9,11,14-15,17-19H,1,5-8,10,12-13H2,2-3H3/t14-,15-,17-,18-,19-,20+,21-/m0/s1
InChIKey JIFKGXKDITUDPD-PMJYHDSJSA-N
Molecular Weight 298.470 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)(C=C)[H])[H])([H])CC[C@]2(CC(=O)C=C1)[H])[H])C
SPLASH splash10-00di-6920000000-8bc28f91e55cb2a2b18c
Source of Spectrum F-51-9981-1
Wiley ID 793381