3-BETA,12-BETA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER

SpectraBase Compound ID	9jbpzoRhaT8
InChI	InChI=1S/C25H42O4/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/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18+,19-,20+,21+,22-,24+,25-/m1/s1
InChIKey	ZHUOOEGSSFNTNP-PLQQDRFXSA-N Google Search
Mol Weight	406.6 g/mol
Molecular Formula	C25H42O4
Exact Mass	406.30831 g/mol

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SpectraBase Spectrum ID	1IO8vdys7Rn
Name	(4R)-4-[(3S,5R,8R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
Alternate Name(s)	(4R)-4-[(3S,5R,8R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Methyl (4R)-4-[(3S,5R,8R,9S,10S,12R,13R,14S,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(3S,5R,8R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CAS Registry Number	81702-91-2
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H42O4
InChI	InChI=1S/C25H42O4/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/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18+,19-,20+,21+,22-,24+,25-/m1/s1
InChIKey	ZHUOOEGSSFNTNP-PLQQDRFXSA-N
Molecular Weight	406.607 g/mol
SMILES	O[C@@]1(C[C@@]2([C@]3(CC[C@@](C[C@]3(CC[C@]2([C@]2([C@]1([C@](CC2)([C@@](CCC(=O)OC)(C)[H])[H])C)[H])[H])[H])(O)[H])C)[H])[H]
SPLASH	splash10-0ab9-0091000000-c050b75457ed8c4bd419
Source of Spectrum	KO-9-474-2
Wiley ID	1372361