Methyl (1R,2R,5R,8R,9S,10R,11R)-11-Methyl-6-Methylene-16-Oxo-15-Oxapentacyclo[9.3.2.1^5,8.0^1,10.0^2,8]Heptadecane-9-Carboxylate
[CAS# 2112-08-5]

Identification

• Name: Methyl (1R,2R,5R,8R,9S,10R,11R)-11-Methyl-6-Methylene-16-Oxo-15-Oxapentacyclo[9.3.2.1^5,8.0^1,10.0^2,8]Heptadecane-9-Carboxylate
• Synonyms: (1R,2R,5R,8R,9S,10R,11R)-11-Méthyl-6-méthylène-16-oxo-15-oxapentacyclo[9.3.2.1^5,8.0^1,10.0^2,8]heptadécane-9-carboxylate de méthyle; 4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene-10-carboxylic acid, dodecahydro-1-methyl-8-methylene-13-oxo-, methyl ester, (1R,4aR,4bR,7R,9aR,10S,10aR)-; GA9 methyl ester
• Molecular Formula: C₂₀H₂₆O₄
• Molecular Weight: 330.42
• CAS Registry Number: 2112-08-5
• SMILES: C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)OC)OC2=O
• InChI: 1S/C20H26O4/c1-11-9-19-10-12(11)5-6-13(19)20-8-4-7-18(2,17(22)24-20)15(20)14(19)16(21)23-3/h12-15H,1,4-10H2,2-3H3/t12-,13-,14-,15-,18-,19+,20-/m1/s1
• InChIKey: GKRMJALKMNRHGF-WARWBDHMSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 472.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 238.2±27.1°C (Cal.)
• Refractive index: 1.566 (Cal.)