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Cholic acid-[d5]

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General Information
Catalog: BLP-000147
CAS: 53007-09-3
Molecular Formula: C24H35D5O5
Molecular Weight: 413.60

Chemical Structure

Description	Cholic acid-[d5], is the labelled analogue of Cholesteryl oleate, Cholesteryl oleate is an esterified form cholesterol found in plasma.
Synonyms	Cholic acid-2,2,3,4,4-d5
IUPAC Name	(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7,12-trihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Related CAS	81-25-4 (unlabelled)
Canonical SMILES	CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InChI	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1/i8D2,10D2,15D
InChI Key	BHQCQFFYRZLCQQ-VRLVFLRJSA-N
Melting Point	145-149°C
Purity	98% (CP); 98% atom D
Solubility	Soluble in DMSO, Ethanol, Methanol
Appearance	Off-white to Pale Beige Solid