(+)-12(S),13(R)-Vernolic Acid

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Properties Simple | Detailed

Formula C18H32O3
IUPAC Name (z)-11-[(2s,3r)-3-pentyloxiran-2-yl]undec-9-enoic acid
Molecular Mass 296.445 g·mol−1
Heat of Formation -669.8 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 420.49 Å 3
Surface Area 384.76 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 0.74 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-11-[(2s,3r)-3-amyloxiran-2-yl]undec-9-enoic acid
  • (z)-11-[(2s,3r)-3-pentyl-2-oxiranyl]undec-9-enoic acid
  • (z)-11-[(2s,3r)-3-pentyloxiran-2-yl]undec-9-enoic acid
  • 9-undecenoic acid, 11-(3-pentyloxiranyl)-, (2s-(2alpha(z),3alpha))-
  • cis-12-epoxyoctadeca-cis-9-enoate
  • cis-12-epoxyoctadeca-cis-9-enoic acid
  • vernoleate
  • vernolic acid (+)-form
CAS Number(s)
  • 16833-57-1
  • 7576-35-4
InChIKey CCPPLLJZDQAOHD-GJGKEFFFSA-N
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