2-Methoxy-3,5-Dimethyl-6-{(1S,4S,5R,6S)-1,3,6-Trimethyl-4-[(2E)-2-Penten-2-Yl]Bicyclo[3.1.0]Hex-2-En-6-Yl}-4H-Pyran-4-One

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Properties Simple | Detailed

Formula C22H31O3+
IUPAC Name 2-methoxy-3,5-dimethyl-6-[(1r,2s,5s,6s)-3,5,6-trimethyl-2-[(e)-1-methylbut-1-enyl]-6-bicyclo[3.1.0]hex-3-enyl]pyran-4-one
Molecular Mass 343.480 g·mol−1
Heat of Formation -385.8 ± 16.7 kJ·mol−1
Dipole Moment 6.46 ± 1.08 D
Volume 455.57 Å 3
Surface Area 369.16 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methoxy-3,5-dimethyl-6-[(1s,4s,5r,6s)-1,3,6-trimethyl-4-[(e)-1-methylbut-1-enyl]-6-bicyclo[3.1.0]hex-2-enyl]-4-pyranone
  • 2-methoxy-3,5-dimethyl-6-[(1s,4s,5r,6s)-1,3,6-trimethyl-4-[(e)-1-methylbut-1-enyl]-6-bicyclo[3.1.0]hex-2-enyl]pyran-4-one
  • 2-methoxy-3,5-dimethyl-6-[(1s,4s,5r,6s)-1,3,6-trimethyl-4-[(e)-pent-2-en-2-yl]-6-bicyclo[3.1.0]hex-2-enyl]pyran-4-one
InChIKey MKULNXUVQXEUEY-UXCDBTPASA-N
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