(3aR,5S,5aS,8S,8aS,9aR)-8-Hydroxy-8a-(Hydroxymethyl)-5-Methyl-1-Methylidene-4,5,5a,6,7,8,9,9a-Octahydro-3aH-Azuleno[7,6-D]Furan-2-One
[CAS# 76467-15-7]

Identification

• Name: (3aR,5S,5aS,8S,8aS,9aR)-8-Hydroxy-8a-(Hydroxymethyl)-5-Methyl-1-Methylidene-4,5,5a,6,7,8,9,9a-Octahydro-3aH-Azuleno[7,6-D]Furan-2-One
• Synonyms: (3Ar,5S,5As,8S,8As,9Ar)-8-Hydroxy-8A-(Hydroxymethyl)-5-Methyl-1-Methylene-4,5,5A,6,7,8,9,9A-Octahydro-3Ah-Azuleno[7,6-D]Furan-2-One; (3Ar,5S,5As,8S,8As,9Ar)-8-Hydroxy-5-Methyl-1-Methylene-8A-Methylol-4,5,5A,6,7,8,9,9A-Octahydro-3Ah-Azuleno[7,6-D]Furan-2-One; Azuleno[6,5-B]Furan-2(3H)-One, Decahydro-5-Hydroxy-4A-(Hydroxymethyl)-8-Methyl-3-Methylene-, [3Ar-(3A.Alpha.,4A.Beta.,5.Beta.,7A.Alpha.,8.Beta.,9A.Alpha.)]-
• Molecular Formula: C₁₅H₂₂O₄
• Molecular Weight: 266.34
• CAS Registry Number: 76467-15-7
• SMILES: [C@]23([C@H]([C@H](C[C@H]1OC(C([C@H]1C2)=C)=O)C)CC[C@@H]3O)CO
• InChI: 1S/C15H22O4/c1-8-5-12-10(9(2)14(18)19-12)6-15(7-16)11(8)3-4-13(15)17/h8,10-13,16-17H,2-7H2,1H3/t8-,10+,11-,12+,13-,15+/m0/s1
• InChIKey: MRKDDZNWFZRYRN-DGAUTFDNSA-N

Properties

• Density: 1.231g/cm³ (Cal.)
• Boiling point: 465.48°C at 760 mmHg (Cal.)
• Flash point: 174.462°C (Cal.)