(3aR,4S,6E,10Z,11aR)-3a,4,5,8,9,11alpha-Hexahydro-4-Hydroxy-10-(Hydroxymethyl)-6-Methyl-3-Methylenecyclodeca[b]Furan-2(3H)-One
[CAS# 26931-94-2]

Identification

• Name: (3aR,4S,6E,10Z,11aR)-3a,4,5,8,9,11alpha-Hexahydro-4-Hydroxy-10-(Hydroxymethyl)-6-Methyl-3-Methylenecyclodeca[b]Furan-2(3H)-One
• Synonyms: (3Ar,4S,6E,10Z,11Ar)-4-Hydroxy-10-(Hydroxymethyl)-6-Methyl-3-Methylene-3A,4,5,8,9,11A-Hexahydrocyclodeca[D]Furan-2-One; (3Ar,4S,6E,10Z,11Ar)-4-Hydroxy-6-Methyl-3-Methylene-10-Methylol-3A,4,5,8,9,11A-Hexahydrocyclodeca[D]Furan-2-One; Megxp0_001102
• Molecular Formula: C₁₅H₂₀O₄
• Molecular Weight: 264.32
• CAS Registry Number: 26931-94-2
• SMILES: [C@H]12C(C(O[C@@H]1\C=C(/CO)CC\C=C(C[C@@H]2O)/C)=O)=C
• InChI: 1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1
• InChIKey: BLDTUWFMPJJRPR-PNQYDXICSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 504.5°C at 760 mmHg (Cal.)
• Flash point: 190.347°C (Cal.)