Shijiaocaolactone A
[CAS# 122739-12-2]

Identification

• Name: Shijiaocaolactone A
• Synonyms: [(7S,8R)-3-(1,1-Dimethylprop-2-Enyl)-8-Isobutyl-8-Methyl-2-Oxo-6,7-Dihydropyrano[5,6-G]Chromen-7-Yl] Acetate; Acetic Acid [(7S,8R)-3-(1,1-Dimethylprop-2-Enyl)-8-Isobutyl-8-Methyl-2-Oxo-6,7-Dihydropyrano[5,6-G]Chromen-7-Yl] Ester; Acetic Acid [(7S,8R)-3-(1,1-Dimethylprop-2-Enyl)-8-Isobutyl-2-Keto-8-Methyl-6,7-Dihydropyrano[5,6-G]Chromen-7-Yl] Ester
• Molecular Formula: C₂₄H₃₀O₅
• Molecular Weight: 398.50
• CAS Registry Number: 122739-12-2
• SMILES: [C@]3(OC1=C(C=C2C(=C1)OC(=O)C(=C2)C(C=C)(C)C)C[C@@H]3OC(=O)C)(CC(C)C)C
• InChI: 1S/C24H30O5/c1-8-23(5,6)18-10-16-9-17-11-21(27-15(4)25)24(7,13-14(2)3)29-20(17)12-19(16)28-22(18)26/h8-10,12,14,21H,1,11,13H2,2-7H3/t21-,24+/m0/s1
• InChIKey: MAFRBYJWZZFXHI-XUZZJYLKSA-N

Properties

• Density: 1.146g/cm³ (Cal.)
• Boiling point: 502.053°C at 760 mmHg (Cal.)
• Flash point: 215.428°C (Cal.)