2-[8,11-Dihydroxy-2-[(2S,3S)-2-Methyl-3-[(Z)-Prop-1-Enyl]Oxiran-2-Yl]-4,7,12-Trioxonaphtho[3,2-h]Chromen-5-Yl]Acetic Acid
[CAS# 133021-37-1]

Identification

• Name: 2-[8,11-Dihydroxy-2-[(2S,3S)-2-Methyl-3-[(Z)-Prop-1-Enyl]Oxiran-2-Yl]-4,7,12-Trioxonaphtho[3,2-h]Chromen-5-Yl]Acetic Acid
• Synonyms: 2-[8,11-Dihydroxy-2-[(2S,3S)-2-Methyl-3-[(Z)-Prop-1-Enyl]Oxiran-2-Yl]-4,7,12-Trioxo-Naphtho[3,2-H]Chromen-5-Yl]Acetic Acid; 2-[8,11-Dihydroxy-2-[(2S,3S)-2-Methyl-3-[(Z)-Prop-1-Enyl]-2-Oxiranyl]-4,7,12-Trioxo-5-Naphtho[3,2-H]Chromenyl]Acetic Acid; 2-[8,11-Dihydroxy-4,7,12-Triketo-2-[(2S,3S)-2-Methyl-3-[(Z)-Prop-1-Enyl]Oxiran-2-Yl]Naphtho[3,2-H]Chromen-5-Yl]Acetic Acid
• Molecular Formula: C₂₅H₁₈O₉
• Molecular Weight: 462.41
• CAS Registry Number: 133021-37-1
• SMILES: [C@]1(O[C@H]1\C=C/C)(C3=CC(=O)C2=C(C=C5C(=C2O3)C(=O)C4=C(O)C=CC(=C4C5=O)O)CC(=O)O)C
• InChI: 1S/C25H18O9/c1-3-4-15-25(2,34-15)16-9-14(28)18-10(8-17(29)30)7-11-19(24(18)33-16)23(32)21-13(27)6-5-12(26)20(21)22(11)31/h3-7,9,15,26-27H,8H2,1-2H3,(H,29,30)/b4-3-/t15-,25-/m0/s1
• InChIKey: MAUMGBVGKFVQCP-NAVFIMFESA-N

Properties

• Density: 1.644g/cm³ (Cal.)
• Boiling point: 796.87°C at 760 mmHg (Cal.)
• Flash point: 278.791°C (Cal.)