4-(7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester

SpectraBase Compound ID	HJwfZcAPQ60
InChI	InChI=1S/C25H40O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-16,18-21,23,27H,5-14H2,1-4H3
InChIKey	XHRLTYUHWGHDCJ-UHFFFAOYSA-N Google Search
Mol Weight	404.6 g/mol
Molecular Formula	C25H40O4
Exact Mass	404.29266 g/mol

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SpectraBase Spectrum ID	D6oaKvGgjeE
Name	4-(7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester
CAS Registry Number	14773-00-3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H40O4
InChI	InChI=1S/C25H40O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-16,18-21,23,27H,5-14H2,1-4H3
InChIKey	XHRLTYUHWGHDCJ-UHFFFAOYSA-N
Molecular Weight	404.591 g/mol
SMILES	OC1C2C3CCC(C(C)CCC(=O)OC)C3(CCC2C2(C(C1)CC(CC2)=O)C)C
SPLASH	splash10-00di-0096000000-32a40dcb03b6903dc115
Source of Spectrum	F-49-2492-11
Synonyms	4-(7-hydroxy-3-keto-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)valeric acid methyl ester 5.beta.-Cholan-24-oic acid, 7.alpha.-hydroxy-3-oxo-, methyl ester Methyl 4-(10,13-dimethyl-7-oxidanyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-(7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
Wiley ID	1371501