Podophyllotoxin 4-O-Glucoside

Analyte Name

Podophyllotoxin 4-O-Glucoside

CAS Number

16481-54-2

Molecular Formula

C35 H36 O13

Molecular Weight

664.65

Accurate Mass

664.2156

SMILES

COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O[C@@H]4O[C@@H]5COC(O[C@H]5[C@H](O)[C@H]4O)c6ccccc6)c7cc8OCOc8cc27

InChI

InChI=1S/C35H36O13/c1-39-23-9-17(10-24(40-2)31(23)41-3)26-18-11-21-22(45-15-44-21)12-19(18)30(20-13-42-33(38)27(20)26)47-35-29(37)28(36)32-25(46-35)14-43-34(48-32)16-7-5-4-6-8-16/h4-12,20,25-30,32,34-37H,13-15H2,1-3H3/t20-,25+,26+,27-,28+,29+,30-,32+,34?,35-/m0/s1

IUPAC

(5R,5aR,8aR,9R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Podophyllotoxin