3Beta-Cholic Acid-d5

Product Specifications

Synonyms

(3β,5β,7α,12α)-3,7,12-Trihydroxy-cholan-24-oic Acid-d5; 3-Epicholic Acid-d5; 3β,7α,12α-Trihydroxy-5β-cholanoic Acid-d5;

Hazard Statement

No Data Available

Smiles

O[C@@H]1([2H])C([2H])([2H])C[C@@]2(C)[C@@](C[C@@H2]([OH])C3C2C[C@H2]([OH])[C@@]4(C)[C@@H]3([H])CC[C@@H]4[C@@H2](CCC(O)=O)C)([H])C1([2H])[2H]

Molecular Formula

C24H35D5O5

Molecular Weight

413.6

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/i8D2,10D2,15D

Additionnal Information

IUPAC name: (4R)-4-((3S,5S,7R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl-2,2,3,4,4-d5)pentanoic acid