Analyte Name

4'-Demethylpicropodophyllin

CAS Number

112066-16-7

Molecular Formula

C21 H20 O8

Molecular Weight

400.379

Accurate Mass

400.116

SMILES

COc1cc(cc(OC)c1O)[C@H]2[C@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24

InChI

InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18+,19-/m0/s1

IUPAC

(5R,5aR,8aS,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat