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Chenodeoxycholic Acid-[13C]

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General Information
Catalog: BLP-009194
CAS: 52918-92-0
Molecular Formula: C23[13C]H40O4
Molecular Weight: 393.57

Chemical Structure

Description	Chenodeoxycholic Acid-[24-13C], is the labelled analogue of Chenodeoxycholic acid, Chenodeoxycholic acid has been used as medical therapy to dissolve gallstones.
Synonyms	Chenodeoxycholic Acid-13C; Chenodeoxycholic-24-13C Acid; (3α,5β,7α)-3,7-Dihydroxycholan-24-oic-13C Acid; (+)-Chenodeoxycholic-13C Acid; 17β-(1-Methyl-3-carboxypropyl)etiocholane-3α,7α-diol-13C; Chenodiol-13C; Chendol-13C; Chenocol-13C; Fluibil-13C; Chenodeoxycholic-13C Acid
IUPAC Name	(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl](1-13C)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/i21+1
InChI Key	RUDATBOHQWOJDD-NIOAGLPLSA-N
Melting Point	165-167°C
Purity	98%; 99% atom 13C
Solubility	Slightly soluble in Dioxane, DMSO, Methanol
Appearance	Solid
Storage	Store at RT