(3aS,5aR,6R,9bS)-6-Hydroxy-5a,9-Dimethyl-3-Methylidene-4,5,6,7,8,9b-Hexahydro-3aH-Naphtho[2,1-d]Furan-2-One
[CAS# 72145-13-2]

Identification

• Name: (3aS,5aR,6R,9bS)-6-Hydroxy-5a,9-Dimethyl-3-Methylidene-4,5,6,7,8,9b-Hexahydro-3aH-Naphtho[2,1-d]Furan-2-One
• Synonyms: (3As,5Ar,6R,9Bs)-6-Hydroxy-5A,9-Dimethyl-3-Methylene-4,5,6,7,8,9B-Hexahydro-3Ah-Benzo[G]Benzofuran-2-One; 6-Hydroxy-5A,9-Dimethyl-3-Methylene-3A,4,5,5A,6,7,8,9B-Octahydro-3H-Naphtho[1,2-B]Furan-2-One; Inchi=1/C15h20o3/C1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/H10-11,13,16H,2,4-7H2,1,3H3/T10-,11+,13-,15-/M0/S
• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32
• CAS Registry Number: 72145-13-2
• SMILES: [C@@H]23C1=C(CC[C@H]([C@@]1(CC[C@H]2C(=C)C(O3)=O)C)O)C
• InChI: 1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h10-11,13,16H,2,4-7H2,1,3H3/t10-,11+,13-,15-/m0/s1
• InChIKey: STUGAIDUQVESQE-WJNVRWDZSA-N

Properties

• Density: 1.178g/cm³ (Cal.)
• Boiling point: 430.399°C at 760 mmHg (Cal.)
• Flash point: 184.023°C (Cal.)