Analyte Name

Ingenol 3,20-Dibenzoate

CAS Number

59086-90-7

Molecular Formula

C34 H36 O7

Molecular Weight

556.64

Accurate Mass

556.2461

SMILES

C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(COC(=O)c4ccccc4)[C@@H](O)[C@]5(O)[C@@H](OC(=O)c6ccccc6)C(=C[C@@]15C3=O)C)C2(C)C

InChI

InChI=1S/C34H36O7/c1-19-17-33-20(2)15-25-26(32(25,3)4)24(28(33)36)16-23(18-40-30(37)21-11-7-5-8-12-21)27(35)34(33,39)29(19)41-31(38)22-13-9-6-10-14-22/h5-14,16-17,20,24-27,29,35,39H,15,18H2,1-4H3/t20-,24+,25-,26+,27-,29+,33+,34+/m1/s1

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Ingenol Mebutate