[(3S,4R)-5-[[4-(1,3-Benzodioxol-5-Yl)-6,7-Dimethoxy-3-Oxo-1H-Benzo[f][2]Benzoxol-9-Yl]Oxy]-3,4-Dihydroxyoxolan-3-Yl]Methyl Acetate
[CAS# 111647-42-8]

Identification

• Name: [(3S,4R)-5-[[4-(1,3-Benzodioxol-5-Yl)-6,7-Dimethoxy-3-Oxo-1H-Benzo[f][2]Benzoxol-9-Yl]Oxy]-3,4-Dihydroxyoxolan-3-Yl]Methyl Acetate
• Synonyms: [(3S,4R)-5-[[4-(1,3-Benzodioxol-5-Yl)-6,7-Dimethoxy-3-Oxo-1H-Benzo[F]Isobenzofuran-9-Yl]Oxy]-3,4-Dihydroxy-Tetrahydrofuran-3-Yl]Methyl Acetate; Acetic Acid [(3S,4R)-5-[[4-(1,3-Benzodioxol-5-Yl)-6,7-Dimethoxy-3-Oxo-1H-Benzo[F]Isobenzofuran-9-Yl]Oxy]-3,4-Dihydroxy-3-Tetrahydrofuranyl]Methyl Ester; Acetic Acid [(3S,4R)-5-[[4-(1,3-Benzodioxol-5-Yl)-3-Keto-6,7-Dimethoxy-1H-Benzo[F]Isobenzofuran-9-Yl]Oxy]-3,4-Dihydroxy-Tetrahydrofuran-3-Yl]Methyl Ester
• Molecular Formula: C₂₈H₂₆O₁₂
• Molecular Weight: 554.51
• CAS Registry Number: 111647-42-8
• SMILES: [C@@H]1(C(OC[C@@]1(COC(C)=O)O)OC4=C6C(=C(C3=CC2=C(OCO2)C=C3)C5=C4C=C(C(=C5)OC)OC)C(OC6)=O)O
• InChI: 1S/C28H26O12/c1-13(29)36-10-28(32)11-37-27(25(28)30)40-24-16-8-20(34-3)19(33-2)7-15(16)22(23-17(24)9-35-26(23)31)14-4-5-18-21(6-14)39-12-38-18/h4-8,25,27,30,32H,9-12H2,1-3H3/t25-,27?,28+/m0/s1
• InChIKey: UOOSHUGMIURKRC-KXPDKNHFSA-N

Properties

• Density: 1.481g/cm³ (Cal.)
• Boiling point: 810.06°C at 760 mmHg (Cal.)
• Flash point: 271.991°C (Cal.)