(6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid methyl ester

SpectraBase Compound ID	Dohe8JibEZl
InChI	InChI=1S/C28H44O3/c1-18(7-6-8-19(2)26(30)31-5)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,3)25(22)14-16-28(23,24)4/h17-19,22-25H,6-16H2,1-5H3/t18-,19?,22+,23-,24+,25+,27+,28-/m1/s1
InChIKey	YCMCZAOYUJSOBD-LUGLCAACSA-N Google Search
Mol Weight	428.7 g/mol
Molecular Formula	C28H44O3
Exact Mass	428.329045 g/mol

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SpectraBase Spectrum ID	3tmeFtFMJtk
Name	(6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid methyl ester
CAS Registry Number	53481-64-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H44O3
InChI	InChI=1S/C28H44O3/c1-18(7-6-8-19(2)26(30)31-5)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,3)25(22)14-16-28(23,24)4/h17-19,22-25H,6-16H2,1-5H3/t18-,19?,22+,23-,24+,25+,27+,28-/m1/s1
InChIKey	YCMCZAOYUJSOBD-LUGLCAACSA-N
Molecular Weight	428.657 g/mol
SMILES	[C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@@]1([C@@](CCCC(C(=O)OC)C)(C)[H])[H])[H])C
SPLASH	splash10-05dj-7931100000-da4b606c56420d024fb9
Source of Spectrum	T-68-5429-0
Synonyms	(6R)-6-[(8S,9S,10R,13R,14S,17R)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-enanthic acid methyl ester Methyl (6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoate Methyl (6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoate Methyl 3-oxocholest-4-en-26-oate
Wiley ID	59303