(5R,5aR,8aR,9R)-5-(4-Ethoxy-3,5-Dimethoxy-Phenyl)-9-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-5a,8,8a,9-Tetrahydro-5H-Isobenzofurano[6,5-f][1,3]Benzodioxol-6-One
[CAS# 73839-73-3]

Identification

• Name: (5R,5aR,8aR,9R)-5-(4-Ethoxy-3,5-Dimethoxy-Phenyl)-9-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-5a,8,8a,9-Tetrahydro-5H-Isobenzofurano[6,5-f][1,3]Benzodioxol-6-One
• Synonyms: (5R,5Ar,8Ar,9R)-5-(4-Ethoxy-3,5-Dimethoxyphenyl)-9-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-5A,8,8A,9-Tetrahydro-5H-Isobenzofurano[6,5-F][1,3]Benzodioxol-6-One; (5R,5Ar,8Ar,9R)-5-(4-Ethoxy-3,5-Dimethoxy-Phenyl)-9-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-5A,8,8A,9-Tetrahydro-5H-Isobenzofurano[6,5-F][1,3]Benzodioxol-6-One; 4'-Aethyl-Demethylpodophyllotoxin-Glucosid [German]
• Molecular Formula: C₂₉H₃₄O₁₃
• Molecular Weight: 590.58
• CAS Registry Number: 73839-73-3
• SMILES: [C@@H]3(C2=C(C=C1OCOC1=C2)[C@H]([C@@H]4[C@@H]3COC4=O)C5=CC(=C(C(=C5)OC)OCC)OC)O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@H](O6)CO
• InChI: 1S/C29H34O13/c1-4-37-27-18(35-2)5-12(6-19(27)36-3)21-13-7-16-17(40-11-39-16)8-14(13)26(15-10-38-28(34)22(15)21)42-29-25(33)24(32)23(31)20(9-30)41-29/h5-8,15,20-26,29-33H,4,9-11H2,1-3H3/t15-,20+,21+,22-,23+,24-,25+,26-,29-/m0/s1
• InChIKey: AQFTVPOQLUBUKA-JKTVECJGSA-N

Properties

• Density: 1.522g/cm³ (Cal.)
• Boiling point: 785.911°C at 760 mmHg (Cal.)
• Flash point: 257.281°C (Cal.)