Graniline
[CAS# 40737-97-1]

Identification

• Name: Graniline
• Synonyms: (3Ar,4As,6S,8R,8Ar,9Ar)-6,8-Dihydroxy-8A-Methyl-3,5-Dimethylene-3A,4,4A,6,7,8,9,9A-Octahydrobenzo[F]Benzofuran-2-One; C09470; Granilin
• Molecular Formula: C₁₅H₂₀O₄
• Molecular Weight: 264.32
• CAS Registry Number: 40737-97-1
• SMILES: [C@@]23([C@@H](C[C@H]1[C@H](OC(=O)C1=C)C2)C([C@@H](O)C[C@H]3O)=C)C
• InChI: 1S/C15H20O4/c1-7-9-4-10-8(2)11(16)5-13(17)15(10,3)6-12(9)19-14(7)18/h9-13,16-17H,1-2,4-6H2,3H3/t9-,10+,11+,12-,13-,15-/m1/s1
• InChIKey: ZEIYNPAINVEWGP-NQHOMTGGSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 469.802°C at 760 mmHg (Cal.)
• Flash point: 177.413°C (Cal.)