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1-β-Hydroxydeoxycholic Acid-[d4]

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General Information
Catalog: BLP-003490
CAS: 2089602-33-3
Molecular Formula: C24H36D4O5
Molecular Weight: 412.59

Chemical Structure

Description	1-β-Hydroxydeoxycholic Acid-[d4], is the labelled analogue of 1-β-Hydroxydeoxycholic Acid.
Synonyms	1-β-Hydroxydeoxycholic Acid D4
IUPAC Name	(4R)-4-[(1R,3S,5R,8S,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-1,3,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Related CAS	80434-32-8 (unlabelled)
Canonical SMILES	CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(C(CC(C4)O)O)C)O)C
InChI	InChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18+,19+,20-,21+,23+,24-/m1/s1/i10D2,11D2
InChI Key	DAKYVYUAVGJDRK-APXBLONHSA-N
Purity	95% by NMR; 98% atom D