(1S,4Ar,5S,8Ar)-1,4A-Dimethyl-6-Methylene-5-[(2E)-3-Methyl-2,4-Pentadien-1-Yl]Decahydro-1-Naphthalenecarboxylic Acid

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Properties Simple | Detailed

Formula C20H30O2
IUPAC Name (1s,4ar,5s,8ar)-1,4a-dimethyl-6-methylene-5-[(2e)-3-methylpenta-2,4-dienyl]decalin-1-carboxylic acid
Molecular Mass 302.451 g·mol−1
Heat of Formation -419.1 ± 16.7 kJ·mol−1
Dipole Moment 1.51 ± 1.08 D
Volume 405.42 Å 3
Surface Area 329.4 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 3.67 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4ar,5s,8ar)-1,4a-dimethyl-6-methylene-5-[(2e)-3-methylpenta-2,4-dienyl]-1-decalincarboxylic acid
  • (1s,4ar,5s,8ar)-1,4a-dimethyl-6-methylene-5-[(2e)-3-methylpenta-2,4-dienyl]decalin-1-carboxylic acid
  • (1s,4ar,5s,8ar)-1,4a-dimethyl-6-methylidene-5-[(2e)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2h-naphthalene-1-carboxylic acid
  • 1,4a-dimethyl-6-methylene-5-(3-methyl-penta-2,4-dienyl)-decahydro-naphthalene-1-carboxylic acid
  • 1-naphthalenecarboxylic acid, decahydro-1,4a-dimethyl-6-methylene-5-[(2e)-3-methyl-2,4-pentadienyl]-, (1s,4ar,5s)-
  • rel-(1r,4as,5r)-1,4a-dimethyl-6-methylene-5-[(2e)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene-1-carboxylic acid
CAS Number(s)
  • 1231-35-2
InChIKey YGBZFOQXPOGACY-VWVSFFKRSA-N
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