Athamantin
[CAS# 1892-56-4]

Identification

• Name: Athamantin
• Synonyms: [1-Methyl-1-[(8S,9R)-9-(3-Methylbutanoyloxy)-2-Oxo-8,9-Dihydrofuro[5,4-H]Chromen-8-Yl]Ethyl] 3-Methylbutanoate; 3-Methylbutanoic Acid [1-Methyl-1-[(8S,9R)-9-(3-Methyl-1-Oxobutoxy)-2-Oxo-8,9-Dihydrofuro[5,4-H]Chromen-8-Yl]Ethyl] Ester; 3-Methylbutyric Acid [1-[(8S,9R)-9-Isovaleryloxy-2-Keto-8,9-Dihydrofuro[5,4-H]Chromen-8-Yl]-1-Methyl-Ethyl] Ester
• Molecular Formula: C₂₄H₃₀O₇
• Molecular Weight: 430.50
• CAS Registry Number: 1892-56-4
• SMILES: [C@H]1([C@@H](C2=C(O1)C=CC3=C2OC(C=C3)=O)OC(=O)CC(C)C)C(OC(=O)CC(C)C)(C)C
• InChI: 1S/C24H30O7/c1-13(2)11-18(26)30-22-20-16(9-7-15-8-10-17(25)29-21(15)20)28-23(22)24(5,6)31-19(27)12-14(3)4/h7-10,13-14,22-23H,11-12H2,1-6H3/t22-,23+/m1/s1
• InChIKey: KPLBOWKEQXYXSD-PKTZIBPZSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 508.6±50.0°C at 760 mmHg (Cal.)
• Flash point: 217.4±30.2°C (Cal.)