(4aS)-2,3,4a,8,9,10,10abeta,10b-Octahydro-10alpha-Hydroxy-4aalpha,8beta,10balpha-Trimethyl-1H-Naphtho[2,1-b]Pyran-1-One
[CAS# 59684-36-5]

Identification

• Name: (4aS)-2,3,4a,8,9,10,10abeta,10b-Octahydro-10alpha-Hydroxy-4aalpha,8beta,10balpha-Trimethyl-1H-Naphtho[2,1-b]Pyran-1-One
• Synonyms: 1H-Naphtho(2,1-B)Pyran-1-One, 2,3,4A,8,9,10,10A,10B-Octahydro-10-Hydroxy-4A,8,10B-Trimethyl-, (4Ar,8R,10R,10Ar,10Bs)-Rel-(-)-; Versiol
• Molecular Formula: C₁₆H₂₂O₃
• Molecular Weight: 262.35
• CAS Registry Number: 59684-36-5
• SMILES: [C@]13([C@@](C(CCO1)=O)([C@H]2C(=C[C@@H](C[C@H]2O)C)C=C3)C)C
• InChI: 1S/C16H22O3/c1-10-8-11-4-6-15(2)16(3,13(18)5-7-19-15)14(11)12(17)9-10/h4,6,8,10,12,14,17H,5,7,9H2,1-3H3/t10-,12+,14-,15+,16-/m0/s1
• InChIKey: SXHZNZFKZCCMFJ-HJRAGWGGSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 417.143°C at 760 mmHg (Cal.)
• Flash point: 152.455°C (Cal.)