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(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 Structure CAS#: 77820-41-8, (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
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.)
Market Analysis Reports
List of Reports Available for (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
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