4-(1,3-Benzodioxol-5-Yl)-9-[(2S,3R,4S,5R)-3,4-Dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-6,7-Dimethoxy-1H-Benzo[f][2]Benzoxol-3-One
[CAS# 133882-75-4]

Identification

• Name: 4-(1,3-Benzodioxol-5-Yl)-9-[(2S,3R,4S,5R)-3,4-Dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-6,7-Dimethoxy-1H-Benzo[f][2]Benzoxol-3-One
• Synonyms: 4-(1,3-Benzodioxol-5-Yl)-9-[(2S,3R,4S,5R)-3,4-Dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-6,7-Dimethoxy-1H-Benzo[F]Isobenzofuran-3-One; 4-(1,3-Benzodioxol-5-Yl)-9-[[(2S,3R,4S,5R)-3,4-Dimethoxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-6,7-Dimethoxy-1H-Benzo[F]Isobenzofuran-3-One; 4-(1,3-Benzodioxol-5-Yl)-9-[(2S,3R,4S,5R)-3,4-Dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-6,7-Dimethoxy-1H-Benzo[F]Isobenzofuran-3-One
• Molecular Formula: C₃₄H₃₈O₁₆
• Molecular Weight: 702.66
• CAS Registry Number: 133882-75-4
• SMILES: [C@@H]7(OC1=C5C(=C(C2=C1C=C(OC)C(=C2)OC)C4=CC3=C(OCO3)C=C4)C(OC5)=O)OC[C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)[C@H](OC)[C@H]7OC
• InChI: 1S/C34H38O16/c1-40-19-8-15-16(9-20(19)41-2)29(17-11-44-32(39)25(17)24(15)14-5-6-18-21(7-14)47-13-46-18)50-34-31(43-4)30(42-3)23(12-45-34)49-33-28(38)27(37)26(36)22(10-35)48-33/h5-9,22-23,26-28,30-31,33-38H,10-13H2,1-4H3/t22-,23-,26-,27+,28-,30+,31-,33+,34+/m1/s1
• InChIKey: DDUSFSKGAHCYFG-LXOHQACASA-N

Properties

• Density: 1.549g/cm³ (Cal.)
• Boiling point: 930.313°C at 760 mmHg (Cal.)
• Flash point: 295.12°C (Cal.)