(8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione

SpectraBase Compound ID	5OxSVDIgUg4
InChI	InChI=1S/C29H46O2/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/h16,18-20,22-25H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,28-,29-/m1/s1
InChIKey	UVFOCYGYACXLAY-ZDQUCUCBSA-N Google Search
Mol Weight	426.7 g/mol
Molecular Formula	C29H46O2
Exact Mass	426.349781 g/mol

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SpectraBase Spectrum ID	H3rWEhtLa7L
Name	(8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H46O2
InChI	InChI=1S/C29H46O2/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/h16,18-20,22-25H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,28-,29-/m1/s1
InChIKey	UVFOCYGYACXLAY-ZDQUCUCBSA-N
Molecular Weight	426.685 g/mol
SMILES	[C@]12(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])=CC(CC1)=O)C
SPLASH	splash10-000i-0920200000-869b176d65bdc59b0515
Source of Spectrum	QA-41-196-4
Synonyms	(8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-quinone (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione stigmast-4-ene-3,6-dione
Wiley ID	861826