Analyte Name

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

CAS Number

99124-03-5

Molecular Formula

C30 H48 O6 S

Molecular Weight

536.764

Accurate Mass

536.317

SMILES

CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OS(=O)(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=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

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat