(3aR,6aR,7S,8aS)-6A-Methyl-7-[(2S)-6-Methyl-5-Hepten-2-Yl]Octahydro-2H-Cyclopenta[Ij]Isochromene-2,4(3H)-Dione
[CAS# 142780-50-5]

Identification

• Name: (3aR,6aR,7S,8aS)-6A-Methyl-7-[(2S)-6-Methyl-5-Hepten-2-Yl]Octahydro-2H-Cyclopenta[Ij]Isochromene-2,4(3H)-Dione
• Synonyms: 2H-Cyclopenta(ij)(2)benzopyran-2,4(3H)-dione, 7-(1,5-dimethyl-4-hexenyl)octahydro-6a-methyl-, (3aR-(3aα,6aβ,7β(R*),8aβ,8bβ))-; 3-epi-aplykurodinone B
• Molecular Formula: C₂₀H₃₀O₃
• Molecular Weight: 318.45
• CAS Registry Number: 142780-50-5
• SMILES: O=C3O[C@@H]2C1[C@H](C(=O)CC[C@]1(C)[C@H](C(C)CC\C=C(/C)C)C2)C3
• InChI: 1S/C20H30O3/c1-12(2)6-5-7-13(3)15-11-17-19-14(10-18(22)23-17)16(21)8-9-20(15,19)4/h6,13-15,17,19H,5,7-11H2,1-4H3/t13?,14-,15-,17-,19?,20+/m0/s1
• InChIKey: LILRNUJDHJYEPR-PSYCDZQUSA-N

Properties

• Density: 1.055g/cm³ (Cal.)
• Boiling point: 456.899°C at 760 mmHg (Cal.)
• Flash point: 198.953°C (Cal.)
• Refractive index: 1.51 (Cal.)