Analyte Name

3alpha,6beta,7beta,12beta-Tetrahydroxy-5beta-cholanoic Acid-d3

Molecular Formula

C24 D3 H37 O6

Molecular Weight

427.589

Accurate Mass

427.301

SMILES

[2H]C1([2H])[C@H]2[C@@H]([C@@H](O)[C@@H](O)[C@@H]3C[C@H](O)CC[C@]23C)[C@@H]4CC[C@H]([C@H](C)CCC(=O)O)[C@@]4(C)[C@@]1([2H])O

InChI

InChI=1S/C24H40O6/c1-12(4-7-19(27)28)14-5-6-15-20-16(11-18(26)24(14,15)3)23(2)9-8-13(25)10-17(23)21(29)22(20)30/h12-18,20-22,25-26,29-30H,4-11H2,1-3H3,(H,27,28)/t12-,13-,14-,15+,16+,17+,18+,20+,21+,22-,23-,24-/m1/s1/i11D2,18D

IUPAC

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

Unlabelled CAS Number

140852-41-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat