Dimethyl (Z)-2-[(3S,4R)-5,6,7-Trihydroxy-3-Methoxycarbonyl-1-Oxoisochroman-4-Yl]But-2-Enedioate
[CAS# 154702-77-9]

Identification

• Name: Dimethyl (Z)-2-[(3S,4R)-5,6,7-Trihydroxy-3-Methoxycarbonyl-1-Oxoisochroman-4-Yl]But-2-Enedioate
• Synonyms: Dimethyl (Z)-2-[(3S,4R)-5,6,7-Trihydroxy-3-Methoxycarbonyl-1-Oxo-Isochroman-4-Yl]But-2-Enedioate; (Z)-2-[(3S,4R)-5,6,7-Trihydroxy-3-Methoxycarbonyl-1-Oxo-4-Isochromanyl]But-2-Enedioic Acid Dimethyl Ester; (Z)-2-[(3S,4R)-3-Carbomethoxy-5,6,7-Trihydroxy-1-Keto-Isochroman-4-Yl]But-2-Enedioic Acid Dimethyl Ester
• Molecular Formula: C₁₇H₁₆O₁₁
• Molecular Weight: 396.31
• CAS Registry Number: 154702-77-9
• SMILES: [C@@H]2(C1=C(O)C(=C(O)C=C1C(O[C@@H]2C(OC)=O)=O)O)\C(C(OC)=O)=C\C(OC)=O
• InChI: 1S/C17H16O11/c1-25-9(19)5-7(15(22)26-2)11-10-6(4-8(18)12(20)13(10)21)16(23)28-14(11)17(24)27-3/h4-5,11,14,18,20-21H,1-3H3/b7-5-/t11-,14-/m0/s1
• InChIKey: OEUIKZZDJWSHAW-JWMYWAIISA-N

Properties

• Density: 1.541g/cm³ (Cal.)
• Boiling point: 603.94°C at 760 mmHg (Cal.)
• Flash point: 218.008°C (Cal.)