(4R)-4-[(5S,7R,8R,9S,10S,13R,14S,17R)-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	4Ldjt1eJ1gq
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/t15-,16-,18-,19+,20+,21-,23+,24+,25-/m1/s1
InChIKey	XHRLTYUHWGHDCJ-MVWLGPLQSA-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	IG6EikHqp3p
Name	(4R)-4-[(5S,7R,8R,9S,10S,13R,14S,17R)-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	14772-96-4
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/t15-,16-,18-,19+,20+,21-,23+,24+,25-/m1/s1
InChIKey	XHRLTYUHWGHDCJ-MVWLGPLQSA-N
Molecular Weight	404.591 g/mol
SMILES	O[C@]1([C@]2([C@]3([C@@]([C@](CC3)([C@@](CCC(=O)OC)(C)[H])[H])(CC[C@@]2([C@@]2([C@@](CC(CC2)=O)([H])C1)C)[H])C)[H])[H])[H]
SPLASH	splash10-00dr-0494000000-56a16eafdb2007f3dd16
Source of Spectrum	T-67-4615-0
Synonyms	(4R)-4-[(5S,7R,8R,9S,10S,13R,14S,17R)-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 Methyl (4R)-4-[(5S,7R,8R,9S,10S,13R,14S,17R)-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 (4R)-4-[(5S,7R,8R,9S,10S,13R,14S,17R)-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	57522