Analyte Name

Gestodene Dimer

Molecular Formula

C40 H50 O4

Molecular Weight

594.823

Accurate Mass

594.371

SMILES

CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C[C@]5(O)C=C[C@H]6[C@@H]7CCC8=CC(=O)CC[C@@H]8[C@H]7CC[C@]56CC

InChI

InChI=1S/C40H50O4/c1-3-37-17-13-31-29-11-7-27(41)23-25(29)5-9-33(31)35(37)15-19-39(37,43)21-22-40(44)20-16-36-34-10-6-26-24-28(42)8-12-30(26)32(34)14-18-38(36,40)4-2/h15-16,19-20,23-24,29-36,43-44H,3-14,17-18H2,1-2H3/t29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,39+,40+/m0/s1

IUPAC

(8R,9S,10R,13S,14S,17S)-13-ethyl-17-[2-[(8R,9S,10R,13S,14S,17S)-13-ethyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-17-yl]ethynyl]-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat