3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid, methyl ester, diacetate

SpectraBase Compound ID	GrOHI8ScHyT
InChI	InChI=1S/C29H44O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-24,27H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24-,27+,28+,29-/m1/s1
InChIKey	GVIZCQOBODPSLY-ZNYVGMLLSA-N Google Search
Mol Weight	504.7 g/mol
Molecular Formula	C29H44O7
Exact Mass	504.308704 g/mol

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SpectraBase Spectrum ID	iOVK6AM37L
Name	3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid, methyl ester, diacetate
Source of Sample	Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number	S35283-7
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H44O7
InChI	InChI=1S/C29H44O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-24,27H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24-,27+,28+,29-/m1/s1
InChIKey	GVIZCQOBODPSLY-ZNYVGMLLSA-N
Molecular Weight	504.664001
Synonyms	5B-CHOLAN-24-OIC ACID, 3A,7A-DI- HYDROXY-12-OXO-, METHYL ESTER, DI- ACETATE
Technique	KBr WAFER