(5β,8Alpha,9β,10Alpha,13Alpha)-Kaur-16-En-18-Oic Acid

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Properties Simple | Detailed

Formula C20H30O2
IUPAC Name (1s,4s,5r,9s,10r,13r)-5,9-dimethyl-14-methylene-tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular Mass 302.451 g·mol−1
Heat of Formation -513.6 ± 16.7 kJ·mol−1
Dipole Moment 1.68 ± 1.08 D
Volume 387.53 Å 3
Surface Area 299.78 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 1.15 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-kaur-16-en-19-oic acid
  • (1s,9s,5r,13r)-5,9-dimethyl-14-methylenetetracyclo[11.2.1.0<1,10>.0<4,9>]hexadecane-5-carboxylic acid
  • cunabic acid
  • ent-kaur-16(17)-en-19-oic acid
  • ent-kaur-16-en-19-oate
  • ent-kaur-16-en-19-oic acid
  • ent-kaurenoic acid
  • kaur-16-en-18-oic acid
  • kaur-16-en-18-oic acid, (4alpha)-
  • kauren-19-oic acid
  • kaurenic acid
  • kaurenoic acid
CAS Number(s)
  • 6730-83-2
InChIKey NIKHGUQULKYIGE-OTCXFQBHSA-N
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