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

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Properties Simple | Detailed

Formula C18H32O3
IUPAC Name (z)-11-[(2r,3s)-3-pentyloxiran-2-yl]undec-9-enoic acid
Molecular Mass 296.445 g·mol−1
Heat of Formation -667.9 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 421.71 Å 3
Surface Area 392.75 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-vernolic acid
  • (12r,13s)-(9z)-12,13-epoxyoctadecenoic acid
  • (9z)-(12r,13s)-12,13-epoxyoctadecenoic acid
  • (9z)-(12s,13r)-12,13-epoxyoctadecenoic acid
  • (9z)-11-[(2r,3s)-3-pentyloxiran-2-yl]undec-9-enoic acid
  • (z)-11-[(2r,3s)-3-amyloxiran-2-yl]undec-9-enoic acid
  • (z)-11-[(2r,3s)-3-pentyl-2-oxiranyl]undec-9-enoic acid
  • (z)-11-[(2r,3s)-3-pentyloxiran-2-yl]undec-9-enoic acid
  • 12(13)-epome
  • 12r,13s-epoxy-9z-octadecenoic acid
  • cis-12,13-epoxy-cis-9-octadecenoic acid
  • vernolic acid
CAS Number(s)
  • 17966-13-1
  • 503-07-1
InChIKey CCPPLLJZDQAOHD-BEBBCNLGSA-N
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Elements H C O