(1R,3S,5S,12R,13R)-12-Hydroxy-5,9,13-Trimethyl-16-Methylene-4,14-Dioxatricyclo[11.3.2.0~3,5~]Octadec-8-En-15-One

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Properties Simple | Detailed

Formula C20H30O4
IUPAC Name (1r,3s,5s,8e,12r,13r)-12-hydroxy-5,9,13-trimethyl-16-methylene-4,14-dioxatricyclo[11.3.2.03,5]octadec-8-en-15-one
Molecular Mass 334.450 g·mol−1
Heat of Formation -671.4 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 429.38 Å 3
Surface Area 318.62 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 11-epi-sinulariolide
  • 4,14-dioxatricyclo(11.3.2.o(3.5))octadec-8-en-15-one, 12-hydroxy-5,9,13-trimethyl-16-methylene-, (1r-(1r*,3s*,5s*,8e,12r*,13r*))-
CAS Number(s)
  • 88643-48-5
InChIKey FONRUOAYELOHDC-LBBLXOBRSA-N
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