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Chenodeoxycholic acid-[d9]

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General Information
Catalog: BLP-000133
Molecular Formula: C24H31D9O4
Molecular Weight: 401.63

Chemical Structure

Description	Chenodeoxycholic acid-[d9], is the labelled analogue of Chenodeoxycholic acid, Chenodeoxycholic acid has been used as medical therapy to dissolve gallstones.
Synonyms	Chenodeoxycholic-2,2,3,4,4,6,6,7,8-d9 acid
IUPAC Name	(4R)-4-[(3R,7R,10S,13R,17R)-2,2,3,4,4,6,6,7,8-nonadeuterio-3,7-dihydroxy-10,13-dimethyl-5,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Related CAS	474-25-9 (unlabelled)
Canonical SMILES	CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
InChI	InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15?,16-,17-,18?,19?,20-,22?,23+,24-/m1/s1/i8D2,12D2,13D2,16D,20D,22D
InChI Key	RUDATBOHQWOJDD-CJJOGGQHSA-N
Purity	≥98% (CP); ≥98% atom D