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(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R,3E)-6-methylhepta-3,5-dien-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 MS (GC)

(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R,3E)-6-methylhepta-3,5-dien-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 2HgRHJQSo65
InChI InChI=1S/C27H40O/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/h6-10,19,21,23-25,28H,11-17H2,1-5H3/b8-6+/t19-,21+,23-,24+,25+,26+,27-/m1/s1
InChIKey QEGJIYGPADDLTE-LNOGQBHPSA-N
Mol Weight 380.6 g/mol
Molecular Formula C27H40O
Exact Mass 380.307916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kzZDiI3maq
Name (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R,3E)-6-methylhepta-3,5-dien-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O
InChI InChI=1S/C27H40O/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/h6-10,19,21,23-25,28H,11-17H2,1-5H3/b8-6+/t19-,21+,23-,24+,25+,26+,27-/m1/s1
InChIKey QEGJIYGPADDLTE-LNOGQBHPSA-N
Molecular Weight 380.616 g/mol
SMILES O[C@]1(CC[C@]2(C(C1)=CC=C1[C@@]3(CC[C@]([C@@](\C=C\C=C(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])C)[H]
SPLASH splash10-0w31-0079000000-b78eb27456b6369163a0
Source of Spectrum X4-22-184-1
Synonyms (3S,9S,10R,13R,14R,17R)-17-[(1R,2E)-1,5-dimethylhexa-2,4-dienyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1585942