Cholic-[24-13C] acid

General Information
Catalog: BLP-009198
CAS: 52886-36-9
Molecular Formula: C23[13C]H40O5
Molecular Weight: 409.58
Related CAS: 81-25-4 (unlabelled)
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
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

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