Zoapatanol

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Properties Simple | Detailed

Formula C20H34O4
IUPAC Name (6r)-9-[(2s,3r,6e)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-2,6-dimethyl-non-2-en-5-one
Molecular Mass 338.482 g·mol−1
Heat of Formation -862.9 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 457.87 Å 3
Surface Area 379.56 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (6r)-9-[(2s,3r,6e)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-2-oxepanyl]-2,6-dimethylnon-2-en-5-one
  • (6r)-9-[(2s,3r,6e)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-2,6-dimethyl-non-2-en-5-one
  • (6r)-9-[(2s,3r,6e)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyloxepan-2-yl]-2,6-dimethylnon-2-en-5-one
CAS Number(s)
  • 71117-51-6
InChIKey XRDHAXIOHKTIGF-JECBFZOVSA-N
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