Methyldehydrocholate

SpectraBase Compound ID	Bi2L7bGnD40
InChI	InChI=1S/C25H36O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-19,23H,5-13H2,1-4H3/t14-,15+,17-,18+,19+,23+,24+,25-/m1/s1
InChIKey	ZNRVRJLOYAQJBW-QIGXKWAMSA-N Google Search
Mol Weight	416.6 g/mol
Molecular Formula	C25H36O5
Exact Mass	416.256274 g/mol

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SpectraBase Spectrum ID	G9QkL2RgTv9
Name	3,7,12-Trioxo-5β-cholan-24-oic acid, methyl ester
Source of Sample	Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number	S63757
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H36O5
InChI	InChI=1S/C25H36O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-19,23H,5-13H2,1-4H3/t14-,15+,17-,18+,19+,23+,24+,25-/m1/s1
InChIKey	ZNRVRJLOYAQJBW-QIGXKWAMSA-N
Molecular Weight	416.558014
Synonyms	5B-CHOLAN-24-OIC ACID, 3,7,12-TRIOXO-, METHYL ESTER CHOLIC ACID, DEHYDRO-, METHYL ESTER CHOLIC ACID, DEHYDRO-, METHYL ESTER
Technique	KBr WAFER