(1S,4S,6R)-4-[(1S,2S,5S)-2,5-Dimethyl-3-Oxo-2,4,5,6-Tetrahydro-1H-Pentalen-1-Yl]-4,7,7-Trimethylbicyclo[4.1.0]Heptane-3,5-Dione
[CAS# 77820-41-8]

Identification

• Name: (1S,4S,6R)-4-[(1S,2S,5S)-2,5-Dimethyl-3-Oxo-2,4,5,6-Tetrahydro-1H-Pentalen-1-Yl]-4,7,7-Trimethylbicyclo[4.1.0]Heptane-3,5-Dione
• Synonyms: (1R,3S,6S)-3-[(1S,2S,5S)-2,5-Dimethyl-3-Oxo-2,4,5,6-Tetrahydro-1H-Pentalen-1-Yl]-3,7,7-Trimethyl-Norcarane-2,4-Dione; (1R,3S,6S)-3-[(1S,2S,5S)-2,5-Dimethyl-3-Oxo-2,4,5,6-Tetrahydro-1H-Pentalen-1-Yl]-3,7,7-Trimethylnorcarane-2,4-Dione; (1R,3S,6S)-3-[(1S,2S,5S)-3-Keto-2,5-Dimethyl-2,4,5,6-Tetrahydro-1H-Pentalen-1-Yl]-3,7,7-Trimethyl-Norcarane-2,4-Quinone
• Molecular Formula: C₂₀H₂₆O₃
• Molecular Weight: 314.42
• CAS Registry Number: 77820-41-8
• SMILES: [C@@]2(C([C@H]1C(C)(C)[C@H]1CC2=O)=O)([C@@H]4C3=C(C[C@H](C3)C)C([C@H]4C)=O)C
• InChI: 1S/C20H26O3/c1-9-6-11-12(7-9)17(22)10(2)15(11)20(5)14(21)8-13-16(18(20)23)19(13,3)4/h9-10,13,15-16H,6-8H2,1-5H3/t9-,10-,13-,15-,16-,20+/m0/s1
• InChIKey: NHBBYXIXBPPEDQ-UOTCEEBFSA-N

Properties

• Density: 1.164g/cm³ (Cal.)
• Boiling point: 468.506°C at 760 mmHg (Cal.)
• Flash point: 201.428°C (Cal.)