(11beta,12alpha,15beta(E))-15-((3,4-Dimethyl-1-Oxo-2-Pentenyl)Oxy)-13,20-Epoxy-2,11,12-Trihydroxy-1,16-Dioxo-Picras-2-En-21-Oic Acid Methyl Ester
[CAS# 101910-72-9]

Identification

• Name: (11beta,12alpha,15beta(E))-15-((3,4-Dimethyl-1-Oxo-2-Pentenyl)Oxy)-13,20-Epoxy-2,11,12-Trihydroxy-1,16-Dioxo-Picras-2-En-21-Oic Acid Methyl Ester
• Molecular Formula: C₂₈H₃₆O₁₁
• Molecular Weight: 548.59
• CAS Registry Number: 101910-72-9
• SMILES: [C@]123[C@H]4[C@@]5([C@@H](C[C@H]1OC(=O)[C@H](OC(=O)\C=C(C(C)C)/C)[C@H]2[C@](OC3)([C@@H](O)[C@@H]4O)C(OC)=O)[C@@H](C=C(O)C5=O)C)C
• InChI: 1S/C28H36O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h7-8,11,13-14,16,18-21,23,29,31,33H,9-10H2,1-6H3/b12-8+/t13-,14+,16-,18-,19-,20-,21-,23+,26+,27-,28+/m1/s1
• InChIKey: PCKQDAAUYVCTJJ-XYGKKIDYSA-N

Properties

• Density: 1.41g/cm³ (Cal.)
• Boiling point: 728.201°C at 760 mmHg (Cal.)
• Flash point: 238.36°C (Cal.)