Analyte Name

(3alpha,5beta,7alpha,12alpha)-Cholane-3,7,12,24-tetrol 3,7,12-Triformate

CAS Number

96736-29-7

Molecular Formula

C27 H42 O7

Molecular Weight

478.618

Accurate Mass

478.293

SMILES

C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OC=O)[C@]12C)OC=O)OC=O

InChI

InChI=1S/C27H42O7/c1-17(5-4-10-28)20-6-7-21-25-22(13-24(34-16-31)27(20,21)3)26(2)9-8-19(32-14-29)11-18(26)12-23(25)33-15-30/h14-25,28H,4-13H2,1-3H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

IUPAC

[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diformyloxy-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat