(1S,3R,4Z,8Z,12S,13Z)-12-Isopropyl-1,5,9-Trimethyl-4,8,13-Cyclotetradecatriene-1,3-Diol

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Formula C20H34O2
IUPAC Name (1s,3r,4z,8z,12s,13z)-12-isopropyl-1,5,9-trimethyl-cyclotetradeca-4,8,13-triene-1,3-diol
Molecular Mass 306.483 g·mol−1
Heat of Formation -515.6 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 426.73 Å 3
Surface Area 336.87 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r,4z,8z,12s,13z)-1,5,9-trimethyl-12-propan-2-yl-cyclotetradeca-4,8,13-triene-1,3-diol
  • (1s,3r,4z,8z,12s,13z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
  • (1s,3r,4z,8z,12s,13z)-12-isopropyl-1,5,9-trimethyl-cyclotetradeca-4,8,13-triene-1,3-diol
  • (1s,3r,4z,8z,12s,13z)-12-isopropyl-1,5,9-trimethylcyclotetradeca-4,8,13-triene-1,3-diol
  • (1s-(1r*,3s*,4e,8e,12r*,13e))-1,5,9-trimethyl-12-(1-methylethyl)-4,8,13-cyclotetradecatriene-1,3-diol
  • 2,7,11-cembratriene-4,6-diol
  • alpha-2,7,11-cembratriene-4,6-diol
InChIKey RIVKDDXPCFBMOV-KPKOZXNESA-N
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