(1R,4Ar,5S,8Ar)-5-[(3E)-5-Methoxy-3-Methyl-5-Oxo-3-Penten-1-Yl]-1,4A-Dimethyl-6-Methylenedecahydro-1-Naphthalenecarboxylic Acid

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Properties Simple | Detailed

Formula C21H32O4
IUPAC Name (1r,4ar,5s,8ar)-5-[(e)-5-methoxy-3-methyl-5-oxo-pent-3-enyl]-1,4a-dimethyl-6-methylene-decalin-1-carboxylic acid
Molecular Mass 348.476 g·mol−1
Heat of Formation -857.6 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 447.32 Å 3
Surface Area 367.21 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4ar,5s,8ar)-5-[(e)-5-keto-5-methoxy-3-methyl-pent-3-enyl]-1,4a-dimethyl-6-methylene-decalin-1-carboxylic acid
  • (1r,4ar,5s,8ar)-5-[(e)-5-methoxy-3-methyl-5-oxo-pent-3-enyl]-1,4a-dimethyl-6-methylene-decalin-1-carboxylic acid
  • (1r,4ar,5s,8ar)-5-[(e)-5-methoxy-3-methyl-5-oxo-pent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2h-naphthalene-1-carboxylic acid
  • (1r,4ar,5s,8ar)-5-[(e)-5-methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylene-1-decalincarboxylic acid
  • (1r,4ar,5s,8ar)-5-[(e)-5-methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2h-naphthalene-1-carboxylic acid
  • 1-naphthalenecarboxylic acid, decahydro-5-(5-methoxy-3-methyl-5-oxo-3-pentenyl)-1,4a-dimethyl-6-methylene-, (1r-(1alpha,4abeta,5beta(e),8aalpha))-
  • methyl 18-carboxylabda-8,13-diene-15-oate
CAS Number(s)
  • 139628-86-7
InChIKey AKIRMBMADXTLAC-OFONLPRCSA-N
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