Cholic Acid-24-13C

Product Specifications

CAS Number

52886-36-9

Synonyms

Cholan-24-oic-24-13C acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)- (9CI, ACI); (3α,5β,7α,12α)-3,7,12-Trihydroxycholan-24-oic-24-13C acid (ACI); Cholic-24-13C acid; Cholic Acid-24-13C

Hazard Statement

No Data Available

Smiles

C[C@H](CC[13C](=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

Molecular Formula

13C C23 H40 O5

Molecular Weight

409.564

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

Additionnal Information

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](113C)pentanoic acid