(11beta,12alpha)-13,20-Epoxy-3,11,12-Trihydroxy-2,16-Dioxo-Picras-3-En-21-Oic Acid Ethyl Ester
[CAS# 130705-31-6]

Identification

• Name: (11beta,12alpha)-13,20-Epoxy-3,11,12-Trihydroxy-2,16-Dioxo-Picras-3-En-21-Oic Acid Ethyl Ester
• Molecular Formula: C₂₂H₂₈O₉
• Molecular Weight: 436.46
• CAS Registry Number: 130705-31-6
• SMILES: [C@@H]24C13[C@H]([C@@](OC1)([C@@H](O)[C@@H]2O)C(OCC)=O)CC(O[C@@H]3C[C@@H]5[C@@]4(CC(=O)C(=C5C)O)C)=O
• InChI: 1S/C22H28O9/c1-4-29-19(28)22-12-6-14(24)31-13-5-10-9(2)15(25)11(23)7-20(10,3)17(16(26)18(22)27)21(12,13)8-30-22/h10,12-13,16-18,25-27H,4-8H2,1-3H3/t10-,12+,13+,16+,17+,18-,20-,21?,22+/m0/s1
• InChIKey: CMVMKMSNNMBUMZ-IGWFXXFMSA-N

Properties

• Density: 1.481g/cm³ (Cal.)
• Boiling point: 674.604°C at 760 mmHg (Cal.)
• Flash point: 235.707°C (Cal.)