ω-Muricholic Acid-d5

Analyte Name

Omega-Muricholic Acid-d5

Molecular Formula

C24 D5 H35 O5

Molecular Weight

413.602

Accurate Mass

413.319

SMILES

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

InChI

InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22-,23-,24-/m1/s1/i8D2,12D2,14D

IUPAC

(4R)-4-[(3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,6,7-trihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat