(5R,5aR,8aR,9R)-9-[[(6R,7R,8R)-7,8-Dihydroxy-2-(2-Hydroxyphenyl)-4,4a,6,7,8,8a-Hexahydropyrano[5,6-d][1,3]Dioxin-6-Yl]Oxy]-5-(3,4,5-Trimethoxyphenyl)-5a,8,8a,9-Tetrahydro-5H-Isobenzofurano[6,5-F][1,3]Benzodioxol-6-One
[CAS# 73839-75-5]

Identification

• Name: (5R,5aR,8aR,9R)-9-[[(6R,7R,8R)-7,8-Dihydroxy-2-(2-Hydroxyphenyl)-4,4a,6,7,8,8a-Hexahydropyrano[5,6-d][1,3]Dioxin-6-Yl]Oxy]-5-(3,4,5-Trimethoxyphenyl)-5a,8,8a,9-Tetrahydro-5H-Isobenzofurano[6,5-F][1,3]Benzodioxol-6-One
• Synonyms: Podophyllotoxin O-(O-Hydroxybenzylidene)-Beta-D-Glucopyranoside; Podophyllotoxin-Salicyliden-Glucosid [German]; 4,6-O-(O-Hydroxybenzylidene)-Beta-D-Glucopyranoside Podophyllotoxin
• Molecular Formula: C₃₅H₃₆O₁₄
• Molecular Weight: 680.66
• CAS Registry Number: 73839-75-5
• SMILES: [C@@H]3(C2=C(C=C1OCOC1=C2)[C@H]([C@@H]4[C@@H]3COC4=O)C5=CC(=C(C(=C5)OC)OC)OC)O[C@H]7[C@H](O)[C@@H](O)C6OC(OCC6O7)C8=CC=CC=C8O
• InChI: 1S/C35H36O14/c1-40-23-8-15(9-24(41-2)31(23)42-3)26-17-10-21-22(46-14-45-21)11-18(17)30(19-12-43-33(39)27(19)26)48-35-29(38)28(37)32-25(47-35)13-44-34(49-32)16-6-4-5-7-20(16)36/h4-11,19,25-30,32,34-38H,12-14H2,1-3H3/t19-,25?,26+,27-,28+,29+,30-,32?,34?,35-/m0/s1
• InChIKey: YMQPCIXQSVBLRK-RVKKUCOHSA-N

Properties

• Density: 1.54g/cm³ (Cal.)
• Boiling point: 827.984°C at 760 mmHg (Cal.)
• Flash point: 262.278°C (Cal.)