7-BETA,12-BETA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER

SpectraBase Compound ID	L66sWBGozOJ
InChI	InChI=1S/C25H42O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18+,19+,20+,21-,23+,24+,25-/m1/s1
InChIKey	XPMSMFOWYBQWHS-KQLZVSNCSA-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	6FF3bs3BE1g
Name	(4R)-4-[(5S,7S,8R,9S,10S,12R,13R,14S,17R)-7,12-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-[(5S,7S,8R,9S,10S,12R,13R,14S,17R)-7,12-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-[(5S,7S,8R,9S,10S,12R,13R,14S,17R)-10,13-dimethyl-7,12-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-[(5S,7S,8R,9S,10S,12R,13R,14S,17R)-7,12-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	84895-27-2
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H42O4
InChI	InChI=1S/C25H42O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18+,19+,20+,21-,23+,24+,25-/m1/s1
InChIKey	XPMSMFOWYBQWHS-KQLZVSNCSA-N
Molecular Weight	406.607 g/mol
SMILES	O[C@]1([C@]2([C@]([C@@]3([C@](C[C@]4([C@@]([C@]3(C1)[H])(CCCC4)C)[H])(O)[H])[H])(CC[C@@]2([C@@](CCC(=O)OC)(C)[H])[H])[H])C)[H]
SPLASH	splash10-0ab9-0091000000-73cc758384c494014314
Source of Spectrum	KO-9-474-2
Wiley ID	1372365