24-Nor Ursodeoxycholic Acid-d5

Analyte Name

24-Nor Ursodeoxycholic Acid-d5

Molecular Formula

C23 D5 H33 O4

Molecular Weight

383.576

Accurate Mass

383.308

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[C@@H]2C([2H])([2H])[C@]1([2H])O)[C@H](C)CC(=O)O

InChI

InChI=1S/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14+,15-,16-,17+,18+,19+,21+,22+,23-/m1/s1/i6D2,11D2,15D

IUPAC

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

Alternate CAS Number

99697-24-2

Unlabelled CAS Number

99697-24-2

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)