{(1R,2R,3R)-2-[(3E)-4,8-Dimethyl-3,7-Nonadien-1-Yl]-2-Methyl-3-[(1E,5E)-2,6,10-Trimethyl-1,5,9-Undecatrien-1-Yl]Cyclopropyl}Methanol

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Properties Simple | Detailed

Formula C30H50O
IUPAC Name [(1r,2r,3r)-2-[(3e)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1e,5e)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methanol
Molecular Mass 426.717 g·mol−1
Heat of Formation -342.1 ± 16.7 kJ·mol−1
Dipole Moment 1.46 ± 1.08 D
Volume 637.21 Å 3
Surface Area 425.44 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (1r-(1alpha,2beta(e),3beta(e,e)))-2-(4,8-dimethyl-3,7-nonadienyl)-2-methyl-3-(2,6,10-trimethyl-1,5,9-undecatrienyl)cyclopropanemethanol
  • [(1r,2r,3r)-2-(4,8-dimethylnona-3,7-dienyl)-2-methyl-3-(2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropyl]methanol
  • [(1r,2r,3r)-2-[(3e)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1e,5e)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methanol
  • presqualene alcohol
CAS Number(s)
  • 31908-49-3
InChIKey XLTBFLSFXLLDAZ-VVFNRDJMSA-N
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