Analyte Name

Estra-1,3,5(10)-trien-3,17beta-diyl Dipentanoate (Estradiol 3,17-Divalerate)

CAS Number

63042-28-4

Molecular Formula

C28H40O4

Molecular Weight

440.61

Accurate Mass

440.2927

SMILES

CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)CCCC)ccc4[C@H]3CC[C@]12C

InChI

InChI=1S/C28H40O4/c1-4-6-8-26(29)31-20-11-13-21-19(18-20)10-12-23-22(21)16-17-28(3)24(23)14-15-25(28)32-27(30)9-7-5-2/h11,13,18,22-25H,4-10,12,14-17H2,1-3H3/t22-,23-,24+,25+,28+/m1/s1

IUPAC

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

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat