Lithocholic Acid-d4

Product Specifications

CAS Number

83701-16-0

Synonyms

Cholan-24-oic-2,2,4,4-d4 acid, 3-hydroxy-, (3α,5β)-; (3α,5β)-3-Hydroxycholan-24-oic-2,2,4,4-d4 acid; Lithocholic acid-d4; Lithocholic Acid-2,2,4,4-d4

Hazard Statement

Suspected of causing genetic defects

Purity

>95% (HPLC)

Smiles

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

Molecular Formula

C24 2H4 H36 O3

Molecular Weight

380.6

InChI

InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1/i10D2,14D2

Additionnal Information

IUPAC name: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3-hydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid