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(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-6-methylhept-4-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 2 MS (GC)

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-6-methylhept-4-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 7kRUx05U7Qp
InChI InChI=1S/C27H44O/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/h6-7,9,18-19,21-25,28H,8,10-17H2,1-5H3/b7-6-/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey QWRSWWMDQCPOTC-BFFBWXGTSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PjalUqZv47
Name (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-6-methylhept-4-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/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/h6-7,9,18-19,21-25,28H,8,10-17H2,1-5H3/b7-6-/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey QWRSWWMDQCPOTC-BFFBWXGTSA-N
Molecular Weight 384.648 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](C\C=C/C(C)C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-001i-4975000000-b993091a95d38b1dd045
Source of Spectrum SD-1992-0-0
Synonyms (3S,8S,9S,10R,13R,14S,17R)-17-[(Z,1R)-1,5-dimethylhex-3-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1361980