Analyte Name

3beta-Acetoxy-delta5-cholenyl Chloride

CAS Number

51658-29-8

Molecular Formula

C26 H39 Cl O3

Molecular Weight

435.039

Accurate Mass

434.259

SMILES

C[C@H](CCC(=O)Cl)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C

InChI

InChI=1S/C26H39ClO3/c1-16(5-10-24(27)29)21-8-9-22-20-7-6-18-15-19(30-17(2)28)11-13-25(18,3)23(20)12-14-26(21,22)4/h6,16,19-23H,5,7-15H2,1-4H3/t16-,19+,20+,21-,22+,23+,25+,26-/m1/s1

IUPAC

[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-chloro-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat