3-epi-Betulinic Acid-d3

Analyte Name

3-epi-Betulinic Acid-d3

Molecular Formula

C30 D3 H45 O3

Molecular Weight

459.719

Accurate Mass

459.379

SMILES

[2H]C1([2H])C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@@]34C)C(=O)O)C(=C)C)C(C)(C)[C@]1([2H])O

InChI

InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23+,24+,27-,28+,29+,30-/m0/s1/i12D2,23D

IUPAC

(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9,10,10-trideuterio-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid

Unlabelled CAS Number

472-15-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat