Montacephalin
[CAS# 115995-12-5]

Identification

• Name: Montacephalin
• Synonyms: [(3Ar,4R,5R,9Ar,9Bs)-4,9A-Dihydroxy-6,9-Dimethyl-3-Methylene-2,7-Dioxo-3A,4,5,9B-Tetrahydroazuleno[8,7-B]Furan-5-Yl] 3-Methylbut-2-Enoate; 3-Methylbut-2-Enoic Acid [(3Ar,4R,5R,9Ar,9Bs)-4,9A-Dihydroxy-6,9-Dimethyl-3-Methylene-2,7-Dioxo-3A,4,5,9B-Tetrahydroazuleno[8,7-B]Furan-5-Yl] Ester; 3-Methylbut-2-Enoic Acid [(3Ar,4R,5R,9Ar,9Bs)-4,9A-Dihydroxy-2,7-Diketo-6,9-Dimethyl-3-Methylene-3A,4,5,9B-Tetrahydroazuleno[7,8-D]Furan-5-Yl] Ester
• Molecular Formula: C₂₀H₂₂O₇
• Molecular Weight: 374.39
• CAS Registry Number: 115995-12-5
• SMILES: [C@H]12OC(=O)C([C@@H]1[C@@H](O)[C@H](OC(=O)C=C(C)C)C(=C3[C@]2(O)C(=CC3=O)C)C)=C
• InChI: 1S/C20H22O7/c1-8(2)6-13(22)26-17-11(5)15-12(21)7-9(3)20(15,25)18-14(16(17)23)10(4)19(24)27-18/h6-7,14,16-18,23,25H,4H2,1-3,5H3/t14-,16-,17-,18+,20-/m1/s1
• InChIKey: AGGJZXSACXUOJX-ILCCUAOLSA-N

Properties

• Density: 1.356g/cm³ (Cal.)
• Boiling point: 621.97°C at 760 mmHg (Cal.)
• Flash point: 222.292°C (Cal.)