(3aS)-6alpha-[(Acetyloxy)Methyl]-2,3,3abeta,4,5,6,6a,9,9a,9bbeta-Decahydro-6abeta-Hydroxy-9aalpha-Methyl-3-Methyleneazuleno[4,5-b]Furan-2,9-Dione
[CAS# 28625-29-8]

Identification

• Name: (3aS)-6alpha-[(Acetyloxy)Methyl]-2,3,3abeta,4,5,6,6a,9,9a,9bbeta-Decahydro-6abeta-Hydroxy-9aalpha-Methyl-3-Methyleneazuleno[4,5-b]Furan-2,9-Dione
• Synonyms: [(3As,6R,6Ar,9As,9Br)-6A-Hydroxy-9A-Methyl-3-Methylene-2,9-Dioxo-4,5,6,9B-Tetrahydro-3Ah-Azuleno[8,7-B]Furan-6-Yl]Methyl Acetate; Acetic Acid [(3As,6R,6Ar,9As,9Br)-6A-Hydroxy-9A-Methyl-3-Methylene-2,9-Dioxo-4,5,6,9B-Tetrahydro-3Ah-Azuleno[8,7-B]Furan-6-Yl]Methyl Ester; Acetic Acid [(3As,6R,6Ar,9As,9Br)-6A-Hydroxy-2,9-Diketo-9A-Methyl-3-Methylene-4,5,6,9B-Tetrahydro-3Ah-Azuleno[7,8-D]Furan-6-Yl]Methyl Ester
• Molecular Formula: C₁₇H₂₀O₆
• Molecular Weight: 320.34
• CAS Registry Number: 28625-29-8
• SMILES: [C@@]23([C@@H]1OC(=O)C([C@@H]1CC[C@@H]([C@@]2(C=CC3=O)O)COC(=O)C)=C)C
• InChI: 1S/C17H20O6/c1-9-12-5-4-11(8-22-10(2)18)17(21)7-6-13(19)16(17,3)14(12)23-15(9)20/h6-7,11-12,14,21H,1,4-5,8H2,2-3H3/t11-,12+,14-,16+,17-/m1/s1
• InChIKey: NQPJUMKNIKXOLH-BEANVFONSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 517.268°C at 760 mmHg (Cal.)
• Flash point: 189.518°C (Cal.)