(3aS)-3,3a,4,4a,7aalpha,8,9,9abeta-Octahydro-4beta-Hydroxy-4abeta,8alpha-Dimethyl-3-Methyleneazuleno[6,5-b]Furan-2,5-Dione
[CAS# 5945-41-5]

Identification

• Name: (3aS)-3,3a,4,4a,7aalpha,8,9,9abeta-Octahydro-4beta-Hydroxy-4abeta,8alpha-Dimethyl-3-Methyleneazuleno[6,5-b]Furan-2,5-Dione
• Synonyms: (3As,5R,5Ar,8Ar,9R,9As)-9-Hydroxy-5,8A-Dimethyl-1-Methylene-3A,4,5,5A,9,9A-Hexahydroazuleno[7,6-D]Furan-2,8-Dione; (3As,5R,5Ar,8Ar,9R,9As)-9-Hydroxy-5,8A-Dimethyl-1-Methylene-3A,4,5,5A,9,9A-Hexahydroazuleno[7,6-D]Furan-2,8-Quinone; Mexicanin-I
• Molecular Formula: C₁₅H₁₈O₄
• Molecular Weight: 262.30
• CAS Registry Number: 5945-41-5
• SMILES: [C@@]23([C@@H]([C@@H]1C(C(=O)O[C@H]1C[C@H]([C@@H]2C=CC3=O)C)=C)O)C
• InChI: 1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10+,12-,13-,15+/m1/s1
• InChIKey: ZVLOPMNVFLSSAA-UEIZXJDVSA-N

Properties

• Density: 1.253g/cm³ (Cal.)
• Boiling point: 473.041°C at 760 mmHg (Cal.)
• Flash point: 179.91°C (Cal.)