Analyte Name

17alpha-Estra-1,3,5(10)-triene-3,17-diol-17-heptanoate

CAS Number

10093-54-6

Molecular Formula

C25H36O3

Molecular Weight

384.55

Accurate Mass

384.27

SMILES

OC1=CC=C2C(CC[C@@]3([C@@]2(CC[C@]4([C@]3(CC[C@H]4OC(CCCCCC)=O)[H])C)[H])[H])=C1

InChI

InChI=1S/C25H36O3/c1-3-4-5-6-7-24(27)28-23-13-12-22-21-10-8-17-16-18(26)9-11-19(17)20(21)14-15-25(22,23)2/h9,11,16,20-23,26H,3-8,10,12-15H2,1-2H3/t20-,21-,22+,23-,25+/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat