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(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-3-hydroxy-10,13-dimethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one

View entire compound with spectra: 1 MS (GC)

(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-3-hydroxy-10,13-dimethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
SpectraBase Compound ID 84cJqmVvvvt
InChI InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-25,30H,7-15,17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,28-,29-/m1/s1
InChIKey JOLKQVLDUDGYNR-ZOJPFNMOSA-N
Mol Weight 428.7 g/mol
Molecular Formula C29H48O2
Exact Mass 428.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3slurXFCoe
Name (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-3-hydroxy-10,13-dimethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
CAS Registry Number 130798-13-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O2
InChI InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-25,30H,7-15,17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,28-,29-/m1/s1
InChIKey JOLKQVLDUDGYNR-ZOJPFNMOSA-N
Molecular Weight 428.701 g/mol
SMILES O[C@]1(CC[C@]2(C(C(=O)C[C@@]3([C@@]2(CC[C@@]2([C@@]([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])(CC[C@@]32[H])[H])C)[H])[H])=C1)C)[H]
SPLASH splash10-004i-0010900000-07479dc562d1e2e694d9
Source of Spectrum J-56-1937-5
Synonyms (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
Wiley ID 1380970