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Cholic-[24-13C] acid

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General Information
Catalog: BLP-009198
CAS: 52886-36-9
Molecular Formula: C23[13C]H40O5
Molecular Weight: 409.58

Chemical Structure

Description	Cholic-[24-13C] acid is an isotope compound of Cholic acid. Cholic acid could inhibit the activity of cardiac myocytes by causing calcium overload, thereby leading to the sudden fetal death in ICP.
Synonyms	Cholic Acid-24-13C
IUPAC Name	(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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	81-25-4 (unlabelled)
Isomeric SMILES	C[C@H](CC[13C](=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
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/i21+1
InChI Key	BHQCQFFYRZLCQQ-HFINQHRVSA-N
Melting Point	200-201°C (lit.)
Purity	99% atom 13C