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(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 9WK5ZUiLLdj
InChI InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,19,21,23-25,28H,1,6-8,11-17H2,2-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
InChIKey FMSXBNZXNNDCLE-DDPQNLDTSA-N
Mol Weight 382.6 g/mol
Molecular Formula C27H42O
Exact Mass 382.323566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MbpPWfgMCT
Name (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 60283-65-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O
InChI InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,19,21,23-25,28H,1,6-8,11-17H2,2-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
InChIKey FMSXBNZXNNDCLE-DDPQNLDTSA-N
Molecular Weight 382.632 g/mol
SMILES O[C@@]1(CC2=CC=C3[C@]4([C@]([C@@]([C@@](CCCC(=C)C)(C)[H])(CC4)[H])(C)CC[C@@]3([C@]2(CC1)C)[H])[H])[H]
SPLASH splash10-000t-0009000000-fab342bfdb2d4e33d056
Source of Spectrum KC-1976-734-0
Synonyms (3S,9S,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhex-5-enyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1360894