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Ursodeoxycholic-[24-13C] acid

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General Information
Catalog: BLP-009117
CAS: 63296-46-8
Molecular Formula: C23[13C]H40O4
Molecular Weight: 393.56

Chemical Structure

Description	Ursodeoxycholic-[24-13C] acid is an isotope analogue of Ursodeoxycholic acid (UDCS) which is a cell protectant used extensively to mitigate hepatic and biliary diseases.
Synonyms	(4R)-4-((3S,7S,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic-1-13C acid
IUPAC Name	(4R)-4-[(3R,5S,7S,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	128-13-2 (unlabelled)
Isomeric SMILES	C[C@H](CC[13C](=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
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-GXWWAZPGSA-N
Purity	98%