Analyte Name

(3beta)-3-(Sulfooxy)olean-12-en-28-oic Acid-d3

Molecular Formula

C30 D3 H45 O6 S

Molecular Weight

539.782

Accurate Mass

539.336

SMILES

[2H]C1([2H])C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]34C)C(=O)O)C(C)(C)[C@@]1([2H])OS(=O)(=O)O

InChI

InChI=1S/C30H48O6S/c1-25(2)14-16-30(24(31)32)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(36-37(33,34)35)26(3,4)21(27)10-13-29(22,28)7/h8,20-23H,9-18H2,1-7H3,(H,31,32)(H,33,34,35)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1/i11D2,23D

IUPAC

(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10,11,11-trideuterio-2,2,6a,6b,9,9,12a-heptamethyl-10-sulfooxy-1,3,4,5,6,6a,7,8,8a,12,13,14b-dodecahydropicene-4a-carboxylic acid

Unlabelled CAS Number

99124-03-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat