Analyte Name

11-Oxo-Mogrol

CAS Number

88930-16-9

Molecular Formula

C30 H50 O4

Molecular Weight

474.7156

Accurate Mass

474.3709

SMILES

C[C@]12[C@@]3([H])[C@]([C@@]4([H])C(C(C)([C@H](CC4)O)C)=CC3)(C(C[C@@]1([C@@](CC2)([H])[C@H](C)CC[C@@H](O)C(C)(O)C)C)=O)C

InChI

InChI=1S/C30H50O4/c1-18(9-13-24(32)27(4,5)34)19-15-16-28(6)22-12-10-20-21(11-14-23(31)26(20,2)3)30(22,8)25(33)17-29(19,28)7/h10,18-19,21-24,31-32,34H,9,11-17H2,1-8H3/t18-,19-,21-,22+,23+,24-,28+,29-,30+/m1/s1

IUPAC

(3S,8S,9R,10R,13R,14S,17R)-17-[(1R,4R)-4,5-dihydroxy-1,5-dimethyl-hexyl]-3-hydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one

Country of Origin

CANADA

Product Format

Neat