Analyte Name

4-Allyl-estrone Acetate

CAS Number

56931-53-4

Molecular Formula

C23H28O3

Molecular Weight

352.47

Accurate Mass

352.2038

SMILES

CC(=O)Oc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2c1CC=C

InChI

InChI=1S/C23H28O3/c1-4-5-19-16-6-7-18-17(15(16)8-10-21(19)26-14(2)24)12-13-23(3)20(18)9-11-22(23)25/h4,8,10,17-18,20H,1,5-7,9,11-13H2,2-3H3/t17-,18-,20+,23+/m1/s1

IUPAC

[(8R,9S,13S,14S)-13-methyl-17-oxo-4-prop-2-enyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat