(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester

SpectraBase Compound ID	IV9unjCEIIa
InChI	InChI=1S/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h9,15-19,21-22,26-27H,5-8,10-14H2,1-4H3/t15-,16-,17-,18+,19-,21+,22+,24+,25-/m1/s1
InChIKey	VKKPCYJAOILNFB-PEYJOQABSA-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	lVuy01yvoU
Name	(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H40O4
InChI	InChI=1S/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h9,15-19,21-22,26-27H,5-8,10-14H2,1-4H3/t15-,16-,17-,18+,19-,21+,22+,24+,25-/m1/s1
InChIKey	VKKPCYJAOILNFB-PEYJOQABSA-N
Molecular Weight	404.591 g/mol
SMILES	O[C@]1(C[C@]2([C@@](CC[C@@]3(C[C@@](CC[C@]23C)(O)[H])[H])(C=2[C@]1([C@](CC2)([C@@](CCC(=O)OC)(C)[H])[H])C)[H])[H])[H]
SPLASH	splash10-0079-0009000000-2ecefc838849428e59a7
Source of Spectrum	U1-1998-2830-37
Synonyms	(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Wiley ID	752048