3α-hydroxy-12-oxo-5β-cholan-24-oic acid, methyl ester

SpectraBase Compound ID	6HmMSnKHJXq
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/h15-21,26H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,24+,25-/m1/s1
InChIKey	BNXKKGNFJUFIND-BXVWHTCBSA-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	FV3A0HgONsv
Name	3α-hydroxy-12-oxo-5β-cholan-24-oic acid, methyl ester
Source of Sample	Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number	S63711
Copyright	Copyright © 1980, 1981-2024 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/h15-21,26H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,24+,25-/m1/s1
InChIKey	BNXKKGNFJUFIND-BXVWHTCBSA-N
Molecular Weight	404.591003
Synonyms	5B-CHOLAN-24-OIC ACID, 3A-HYDROXY- 12-OXO-, METHYL ESTER
Technique	KBr WAFER