(5aS,6S,9R,9aR)-5a,6,7,8,9,9a-Hexahydro-6-methyl-9-(1-methylethenyl)-3-pentyl-1,6-Dibenzofurandiol
[CAS# 52025-76-0]

Identification

• Name: (5aS,6S,9R,9aR)-5a,6,7,8,9,9a-Hexahydro-6-methyl-9-(1-methylethenyl)-3-pentyl-1,6-Dibenzofurandiol
• Synonyms: (5As,6S,9R,9Ar)-9-Isopropenyl-6-Methyl-3-Pentyl-7,8,9,9A-Tetrahydro-5Ah-Dibenzofuran-1,6-Diol; (5As,6S,9R,9Ar)-3-Amyl-9-Isopropenyl-6-Methyl-7,8,9,9A-Tetrahydro-5Ah-Dibenzofuran-1,6-Diol; 1,6-Dibenzofurandiol, 5A,6,7,8,9,9A-Hexahydro-6-Methyl-9-(1-Methylethenyl)-3-Pentyl-, (5As-(5Aalpha,6Alpha,9Alpha,9Aalpha))-
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.47
• CAS Registry Number: 52025-76-0
• SMILES: [C@H]1(CC[C@@]([C@@H]3[C@H]1C2=C(C=C(C=C2O3)CCCCC)O)(O)C)C(C)=C
• InChI: 1S/C21H30O3/c1-5-6-7-8-14-11-16(22)19-17(12-14)24-20-18(19)15(13(2)3)9-10-21(20,4)23/h11-12,15,18,20,22-23H,2,5-10H2,1,3-4H3/t15-,18+,20-,21-/m0/s1
• InChIKey: RBEAVAMWZAJWOI-MTOHEIAKSA-N

Properties

• Density: 1.09g/cm³ (Cal.)
• Boiling point: 426.484°C at 760 mmHg (Cal.)
• Flash point: 211.73°C (Cal.)