Analyte Name

Equilin 3-Benzoate

CAS Number

6030-80-4

Molecular Formula

C25H24O3

Molecular Weight

372.46

Accurate Mass

372.1725

SMILES

C[C@]12CC[C@H]3C(=CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CCC2=O

InChI

InChI=1S/C25H24O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8-10,15,20,22H,7,11-14H2,1H3/t20-,22+,25+/m1/s1

IUPAC

[(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] benzoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat