(4R)-4-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester

SpectraBase Compound ID	LBA3pygUUbi
InChI	InChI=1S/C25H34O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h6-7,11,13,15-16,19-22H,5,8-10,12,14H2,1-4H3/t16-,19+,20-,21+,22+,24+,25-/m1/s1
InChIKey	MOELZASDGSLFKD-RYVXGLMXSA-N Google Search
Mol Weight	382.5 g/mol
Molecular Formula	C25H34O3
Exact Mass	382.250795 g/mol

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SpectraBase Spectrum ID	9aYH3F6FK3m
Name	(4R)-4-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
Alternate Name(s)	(4R)-4-[(8S,9S,10R,13R,14S,17R)-3-keto-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Methyl (4R)-4-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxidanylidene-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H34O3
InChI	InChI=1S/C25H34O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h6-7,11,13,15-16,19-22H,5,8-10,12,14H2,1-4H3/t16-,19+,20-,21+,22+,24+,25-/m1/s1
InChIKey	MOELZASDGSLFKD-RYVXGLMXSA-N
Molecular Weight	382.544 g/mol
SMILES	[C@@]12(C(C=C[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]13[H])C)([C@@](CCC(=O)OC)(C)[H])[H])[H])[H])=CC(C=C2)=O)C
SPLASH	splash10-00si-0569000000-4edd507618e37ad81962
Source of Spectrum	F-49-2494-18
Wiley ID	1360819