Analyte Name

(3alpha,5beta,7alpha)-24-Iodo-cholane-3,7-diol Diformate

CAS Number

264128-67-8

Molecular Formula

C26 H41 I O4

Molecular Weight

544.506

Accurate Mass

544.205

SMILES

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

InChI

InChI=1S/C26H41IO4/c1-17(5-4-12-27)20-6-7-21-24-22(9-11-26(20,21)3)25(2)10-8-19(30-15-28)13-18(25)14-23(24)31-16-29/h15-24H,4-14H2,1-3H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26-/m1/s1

IUPAC

[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-formyloxy-17-[(2R)-5-iodopentan-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