(5R,5aR,8aR,9R)-9-[[(6R,7R,8R)-7,8-Dihydroxy-2-(4-Methoxyphenyl)-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# 73839-76-6]

Identification

• Name: (5R,5aR,8aR,9R)-9-[[(6R,7R,8R)-7,8-Dihydroxy-2-(4-Methoxyphenyl)-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: 4,6-O-(P-Methoxybenzilidene)-Beta-D-Glucopyranoside Podophyllotoxin; 4,6-O-Anisylidene-Beta-D-Glucopyranoside Podophyllotoxin; Furo(3',4':6,7)Naphtho(2,3-D)-1,3-Dioxol-6(5Ah)-One, 5,8,8A,9-Tetrahydro-9-((4,6-O-(P-Methoxy-Phenylmethylene)-Beta-D-Glucopyranosyl)Oxy)-5-(3,4,5-Trimethoxyphenyl)-, (5R-(5-Alpha,5A-Beta,8A-Alpha,9-Alpha))
• Molecular Formula: C₃₆H₃₈O₁₄
• Molecular Weight: 694.69
• CAS Registry Number: 73839-76-6
• 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=C(C=C8)OC
• InChI: 1S/C36H38O14/c1-40-18-7-5-16(6-8-18)35-45-14-26-33(50-35)29(37)30(38)36(48-26)49-31-20-12-23-22(46-15-47-23)11-19(20)27(28-21(31)13-44-34(28)39)17-9-24(41-2)32(43-4)25(10-17)42-3/h5-12,21,26-31,33,35-38H,13-15H2,1-4H3/t21-,26?,27+,28-,29+,30+,31-,33?,35?,36-/m0/s1
• InChIKey: NMHHRLKYMHQKRZ-BDAHMYBWSA-N