Analyte Name

Estrone 3-Valerate

CAS Number

128788-26-1

Molecular Formula

C23 H30 O3

Molecular Weight

354.483

Accurate Mass

354.219

SMILES

CCCCC(=O)Oc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2c1

InChI

InChI=1S/C23H30O3/c1-3-4-5-22(25)26-16-7-9-17-15(14-16)6-8-19-18(17)12-13-23(2)20(19)10-11-21(23)24/h7,9,14,18-20H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,23+/m1/s1

IUPAC

[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] pentanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat