Cespitularin Q

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Formula C19H28O4
IUPAC Name (1r,6s,7e,12s)-6-hydroxy-8,14,14-trimethyl-4-methylene-11-oxabicyclo[10.2.2]hexadec-7-ene-10,13-dione
Molecular Mass 320.423 g·mol−1
Heat of Formation -766.5 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 409.04 Å 3
Surface Area 310.69 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,6s,7e,12s)-6-hydroxy-8,15,15-trimethyl-4-methylene-11-oxabicyclo[10.2.2]hexadec-7-ene-10,16-dione
  • (1r,6s,7e,12s)-6-hydroxy-8,15,15-trimethyl-4-methylene-11-oxabicyclo[10.2.2]hexadec-7-ene-10,16-quinone
  • (1r,6s,7e,12s)-6-hydroxy-8,15,15-trimethyl-4-methylidene-11-oxabicyclo[10.2.2]hexadec-7-ene-10,16-dione
InChIKey OFYDSJDWPZLVHN-GVCJHLKLSA-N
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