(-)-Pinellic Acid

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Properties Simple | Detailed

Formula C18H34O5
IUPAC Name (e,9s,12s,13s)-9,12,13-trihydroxyoctadec-10-enoic acid
Molecular Mass 330.460 g·mol−1
Heat of Formation -1206.3 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 453.41 Å 3
Surface Area 362.0 Å 2
HOMO Energy -10.17 ± 0.55 eV
LUMO Energy 0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (10e)-(9s,12s,13s)-9,12,13-trihydroxyoctadec-10-enoic acid
  • (e,9s,12s,13s)-9,12,13-trihydroxyoctadec-10-enoic acid
  • 9(s),12(s),13(s)-trihydroxy-10(e)-octadecenoic acid
  • 9,12,13-trihome
  • 9s,12s,13s-trihydroxy-10e-octadecenoic acid
  • lmfa02000014
InChIKey MDIUMSLCYIJBQC-MVFSOIOZSA-N
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