(5R,5aR,8aR,9R)-5-(3,5-Dimethoxy-4-Propoxy-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# 73839-72-2]

Identification

• Name: (5R,5aR,8aR,9R)-5-(3,5-Dimethoxy-4-Propoxy-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-(3,5-Dimethoxy-4-Propoxyphenyl)-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-(3,5-Dimethoxy-4-Propoxy-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'-Propyl-Demethylpodophyllotoxin-Glucosid [German]
• Molecular Formula: C₃₀H₃₆O₁₃
• Molecular Weight: 604.61
• CAS Registry Number: 73839-72-2
• SMILES: [C@@H]3(C2=C(C=C1OCOC1=C2)[C@H]([C@@H]4[C@@H]3COC4=O)C5=CC(=C(C(=C5)OC)OCCC)OC)O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@H](O6)CO
• InChI: 1S/C30H36O13/c1-4-5-38-28-19(36-2)6-13(7-20(28)37-3)22-14-8-17-18(41-12-40-17)9-15(14)27(16-11-39-29(35)23(16)22)43-30-26(34)25(33)24(32)21(10-31)42-30/h6-9,16,21-27,30-34H,4-5,10-12H2,1-3H3/t16-,21+,22+,23-,24+,25-,26+,27-,30-/m0/s1
• InChIKey: HMBXYYWCEVNNLZ-TZGCRGLASA-N

Properties

• Density: 1.497g/cm³ (Cal.)
• Boiling point: 790.893°C at 760 mmHg (Cal.)
• Flash point: 256.501°C (Cal.)