Analyte Name

3beta-Ursodeoxycholic Acid-d4

Molecular Formula

C24H36D4O4

Molecular Weight

396.6

Accurate Mass

396.32

SMILES

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

InChI

InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,22+,23+,24-/m1/s1/i8D2,12D2

IUPAC

(R)-4-((3S,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl-2,2,4,4-d4)pentanoic acid

Alternate CAS Number

347841-46-7; 99102-69-9

Unlabelled CAS Number

78919-26-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat