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Deoxycholic acid-[d6]

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General Information
Catalog: BLP-000191
Molecular Formula: C24H34D6O4
Molecular Weight: 398.61

Chemical Structure

Synonyms	Deoxycholic-2,2,4,4,11,11-d6 acid; Deoxycholic acid-2,2,4,4,11,11-d6
IUPAC Name	(4R)-4-[(3R,10S,12S,13R)-2,2,4,4,11,11-hexadeuterio-3,12-dihydroxy-10,13-dimethyl-1,3,5,6,7,8,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Related CAS	83-44-3 (unlabelled)
Canonical SMILES	CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
InChI	InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15?,16-,17?,18?,19?,20?,21+,23+,24-/m1/s1/i10D2,12D2,13D2
InChI Key	KXGVEGMKQFWNSR-UEKQVLGMSA-N
Purity	≥98% (CP); ≥98% atom D