(1S,4Ar,5S,8As)-5-[2-(3-Furyl)Ethyl]-1,4A-Dimethyl-6-Methylenedecahydro-1-Naphthalenecarboxylic Acid

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Formula C20H28O3
IUPAC Name (1s,4ar,5s,8as)-5-[2-(3-furyl)ethyl]-1,4a-dimethyl-6-methylene-decalin-1-carboxylic acid
Molecular Mass 316.435 g·mol−1
Heat of Formation -548.2 ± 16.7 kJ·mol−1
Dipole Moment 1.66 ± 1.08 D
Volume 406.7 Å 3
Surface Area 327.32 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4ar,5s,8as)-5-(2-furan-3-ylethyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2h-naphthalene-1-carboxylic acid
  • (1s,4ar,5s,8as)-5-[2-(3-furyl)ethyl]-1,4a-dimethyl-6-methylene-1-decalincarboxylic acid
  • (1s,4ar,5s,8as)-5-[2-(3-furyl)ethyl]-1,4a-dimethyl-6-methylene-decalin-1-carboxylic acid
InChIKey ZQHJXKYYELWEOK-XEYPJELSSA-N
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