3Alpha,7Alpha,12Alpha-Trihydroxycoprostanic Acid

Product Specifications

CAS Number

547-98-8

Synonyms

(3α,5β,7α,12α)-3,7,12-Trihydroxycholestan-26-oic Acid; 3α,7α,12α-Trihydroxy-5β-cholestan-26-oic Acid; 3α,7α,12α-Trihydroxycoprostanic Acid; 5β-Cholestane-3α,7α,12α-triol-26-oic Acid; Coprocholic Acid; Trihydroxycoprostanic Acid;

Hazard Statement

No Data Available

Smiles

C[C@H](CCCC(C)C(=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

C27 H46 O5

Molecular Weight

450.65

InChI

InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1

Additionnal Information

IUPAC name: (6R)-2-methyl-6-[(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]heptanoic acid