Isocupressic Acid

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Formula C20H32O3
IUPAC Name (1s,4ar,5s,8ar)-5-[(e)-5-hydroxy-3-methyl-pent-3-enyl]-1,4a-dimethyl-6-methylene-decalin-1-carboxylic acid
Molecular Mass 320.466 g·mol−1
Heat of Formation -702.4 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 422.28 Å 3
Surface Area 344.86 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4ar,5s,8ar)-5-[(e)-5-hydroxy-3-methyl-pent-3-enyl]-1,4a-dimethyl-6-methylene-decalin-1-carboxylic acid
  • (1s,4ar,5s,8ar)-5-[(e)-5-hydroxy-3-methyl-pent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2h-naphthalene-1-carboxylic acid
  • (1s,4ar,5s,8ar)-5-[(e)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylene-1-decalincarboxylic acid
  • (1s,4ar,5s,8ar)-5-[(e)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2h-naphthalene-1-carboxylic acid
  • 1-naphthalenecarboxylic acid, decahydro-5-((3e)-5-hydroxy-3-methyl-3-pentenyl)-1,4a-dimethyl-6-methylene-, (1s,4ar,5s,8ar)-
  • 1-naphthalenecarboxylic acid, decahydro-5-(5-hydroxy-3-methyl-3-pentenyl)-1,4a-dimethyl-6-methylene-, (1s-(1alpha,4aalpha,5alpha(e),8abeta))-
  • 15-hydroxylabda-8(17),13-dien-19-oic acid
CAS Number(s)
  • 1909-91-7
InChIKey DOYKMKZYLAAOGH-DOEMEAPXSA-N
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