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

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Properties Simple | Detailed

Formula C20H34O2
IUPAC Name (1s,3r,4z,8e,12s,13e)-12-isopropyl-1,5,9-trimethyl-cyclotetradeca-4,8,13-triene-1,3-diol
Molecular Mass 306.483 g·mol−1
Heat of Formation -519.1 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 434.94 Å 3
Surface Area 338.62 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 3.91 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r,4e,8e,12s,13e)-1,5,9-trimethyl-12-propan-2-yl-cyclotetradeca-4,8,13-triene-1,3-diol
  • (1s,3r,4e,8e,12s,13e)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
  • (1s,3r,4e,8e,12s,13e)-12-isopropyl-1,5,9-trimethyl-cyclotetradeca-4,8,13-triene-1,3-diol
  • (1s,3r,4e,8e,12s,13e)-12-isopropyl-1,5,9-trimethylcyclotetradeca-4,8,13-triene-1,3-diol
  • (1s,3r,4z,8e,12s,13e)-1,5,9-trimethyl-12-propan-2-yl-cyclotetradeca-4,8,13-triene-1,3-diol
  • (1s,3r,4z,8e,12s,13e)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
  • (1s,3r,4z,8e,12s,13e)-12-isopropyl-1,5,9-trimethyl-cyclotetradeca-4,8,13-triene-1,3-diol
  • (1s,3r,4z,8e,12s,13e)-12-isopropyl-1,5,9-trimethylcyclotetradeca-4,8,13-triene-1,3-diol
  • 2,7,11-cembratrien-4,6-diol
CAS Number(s)
  • 57605-80-8
InChIKey RIVKDDXPCFBMOV-WITOTENYSA-N
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