3-ALPHA,7-BETA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER

SpectraBase Compound ID	5MOtkjOF8t6
InChI	InChI=1S/C25H42O4/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/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1
InChIKey	GRQROVWZGGDYSW-ZQMFMVRBSA-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	8CYwZvQHOgN
Name	(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-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
CAS Registry Number	10538-55-3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H42O4
InChI	InChI=1S/C25H42O4/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/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1
InChIKey	GRQROVWZGGDYSW-ZQMFMVRBSA-N
Molecular Weight	406.607 g/mol
SMILES	O[C@]1(C[C@@]2([C@@]([C@]3(CC[C@]4([C@]([C@@]3([C@](C2)(O)[H])[H])(CC[C@@]4([C@@](CCC(=O)OC)(C)[H])[H])[H])C)[H])(CC1)C)[H])[H]
SPLASH	splash10-0c00-0097000000-d4bed96922ab8639b450
Source of Spectrum	KO-9-474-2
Synonyms	(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-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-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-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-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-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 Methyl ursodeoxycholate Ursodeoxycholic acid methyl ester
Wiley ID	1372357