(1R,12R,13R)-12-Hydroxy-4,8,12-Trimethyl-16-Methylene-14-Oxabicyclo[11.3.1]Heptadeca-4,8-Dien-15-One

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Properties Simple | Detailed

Formula C20H30O3
IUPAC Name (1r,4z,8z,12r,13r)-12-hydroxy-4,8,12-trimethyl-16-methylene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one
Molecular Mass 318.450 g·mol−1
Heat of Formation -599.8 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 422.02 Å 3
Surface Area 335.36 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,5e,9e,13r)-2-hydroxy-2,6,10-trimethyl-14-methylene-16-oxabicyclo[11.3.1]heptadeca-5,9-dien-15-one
  • (1r,2r,5e,9e,13r)-2-hydroxy-2,6,10-trimethyl-14-methylidene-16-oxabicyclo[11.3.1]heptadeca-5,9-dien-15-one
  • (1r,2r,5z,9z,13r)-2-hydroxy-2,6,10-trimethyl-14-methylene-16-oxabicyclo[11.3.1]heptadeca-5,9-dien-15-one
  • (1r,2r,5z,9z,13r)-2-hydroxy-2,6,10-trimethyl-14-methylidene-16-oxabicyclo[11.3.1]heptadeca-5,9-dien-15-one
InChIKey VCLOBFBJUDXQFF-WMESGLDRSA-N
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