(1R,3R,7R,13S)-13-Methyl-6-Methylene-4,14,16-Trioxatetracyclo[11.2.1.0~1,10~.0~3,7~]Hexadec-9-En-5-One

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Properties Simple | Detailed

Formula C15H18O4
IUPAC Name (1r,3r,7r,13s)-13-methyl-6-methylene-4,14,16-trioxatetracyclo[11.2.1.0 1,10 .0 3,7 ]hexadec-9-en-5-one
Molecular Mass 262.301 g·mol−1
Heat of Formation -607.9 ± 16.7 kJ·mol−1
Dipole Moment 5.46 ± 1.08 D
Volume 306.32 Å 3
Surface Area 266.7 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • dihydrogriesenin
CAS Number(s)
  • 20087-05-2
InChIKey QOWDVJAIJZLWBJ-UXOAXIEHSA-N
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