Analyte Name

(3beta,7alpha)-Cholest-5-ene-3,7-diol 3-Benzoate

CAS Number

40824-59-7

Molecular Formula

C34 H50 O3

Molecular Weight

506.76

Accurate Mass

506.376

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccccc5

InChI

InChI=1S/C34H50O3/c1-22(2)10-9-11-23(3)27-14-15-28-31-29(17-19-34(27,28)5)33(4)18-16-26(20-25(33)21-30(31)35)37-32(36)24-12-7-6-8-13-24/h6-8,12-13,21-23,26-31,35H,9-11,14-20H2,1-5H3/t23-,26+,27-,28+,29+,30-,31+,33+,34-/m1/s1

IUPAC

[(3S,7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat