Betulinic Acid

Product Specifications

CAS Number

472-15-1

Synonyms

(3β)-3-Hydroxy-lup-20(29)-en-28-oic acid; Lup-20(29)-en-28-oic acid, 3β-hydroxy- (8CI); Mairin (6CI,7CI); 3aH-Cyclopenta[a]chrysene, lup-20(29)-en-28-oic acid deriv.; (+)-Betulinic acid; 3β-Hydroxylup-20(29)-en-28-oic acid; Betulic acid; Betulinic acid; Lupatic acid; NSC 113090; β-Betulinic acid

Hazard Statement

Not a hazardous substance according to GHS.

Purity

>95% (HPLC)

Smiles

CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O

Molecular Formula

C30 H48 O3

Molecular Weight

456.7

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

Additionnal Information

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