Disenecioyl-cis-Khellactone
[CAS# 54676-88-9]

Identification

• Name: Disenecioyl-cis-Khellactone
• Synonyms: 3-Methylbut-2-Enoic Acid [(9R,10R)-8,8-Dimethyl-9-(3-Methyl-1-Oxobut-2-Enoxy)-2-Oxo-9,10-Dihydropyrano[6,5-H]Chromen-10-Yl] Ester; 3-Methylbut-2-Enoic Acid [(9R,10R)-2-Keto-8,8-Dimethyl-9-(3-Methylbut-2-Enoyloxy)-9,10-Dihydropyrano[6,5-H]Chromen-10-Yl] Ester; C09261
• Molecular Formula: C₂₄H₂₆O₇
• Molecular Weight: 426.47
• CAS Registry Number: 54676-88-9
• SMILES: [C@@H]1(OC(=O)C=C(C)C)C2=C(OC([C@@H]1OC(=O)C=C(C)C)(C)C)C=CC3=C2OC(=O)C=C3
• InChI: 1S/C24H26O7/c1-13(2)11-18(26)29-22-20-16(9-7-15-8-10-17(25)28-21(15)20)31-24(5,6)23(22)30-19(27)12-14(3)4/h7-12,22-23H,1-6H3/t22-,23-/m1/s1
• InChIKey: UHWIZIJICYWABA-DHIUTWEWSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 524.83°C at 760 mmHg (Cal.)
• Flash point: 225.541°C (Cal.)