(3aR)-3a,4,5,6,6abeta,7,9abeta,9balpha-Octahydro-4beta-Acetoxy-6,9-Dimethyl-6beta-Hydroxy-3-Methyleneazuleno[4,5-b]Furan-2(3H)-One
[CAS# 20482-33-1]

Identification

• Name: (3aR)-3a,4,5,6,6abeta,7,9abeta,9balpha-Octahydro-4beta-Acetoxy-6,9-Dimethyl-6beta-Hydroxy-3-Methyleneazuleno[4,5-b]Furan-2(3H)-One
• Synonyms: [(3Ar,4S,6R,6Ar,9Ar,9Br)-6-Hydroxy-6,9-Dimethyl-3-Methylene-2-Oxo-4,5,6A,7,9A,9B-Hexahydro-3Ah-Azuleno[4,5-B]Furan-4-Yl] Acetate; Acetic Acid [(3Ar,4S,6R,6Ar,9Ar,9Br)-6-Hydroxy-6,9-Dimethyl-3-Methylene-2-Oxo-4,5,6A,7,9A,9B-Hexahydro-3Ah-Azuleno[4,5-B]Furan-4-Yl] Ester; Acetic Acid [(3Ar,4S,6R,6Ar,9Ar,9Br)-6-Hydroxy-2-Keto-6,9-Dimethyl-3-Methylene-4,5,6A,7,9A,9B-Hexahydro-3Ah-Azuleno[5,4-D]Furan-4-Yl] Ester
• Molecular Formula: C₁₇H₂₂O₅
• Molecular Weight: 306.36
• CAS Registry Number: 20482-33-1
• SMILES: [C@@H]12[C@H](C(=C)C(O1)=O)[C@H](C[C@]([C@H]3[C@@H]2C(=CC3)C)(O)C)OC(=O)C
• InChI: 1S/C17H22O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h5,11-15,20H,2,6-7H2,1,3-4H3/t11-,12+,13+,14-,15-,17-/m1/s1
• InChIKey: XMJROHDIQQOWTO-NRPXGKOBSA-N

Properties

• Density: 1.236g/cm³ (Cal.)
• Boiling point: 457.442°C at 760 mmHg (Cal.)
• Flash point: 164.693°C (Cal.)