Dictyoceratin C

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Properties Simple | Detailed

Formula C23H32O3
IUPAC Name methyl 3-[[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]methyl]-4-hydroxy-benzoate
Molecular Mass 356.498 g·mol−1
Heat of Formation -592.8 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 451.18 Å 3
Surface Area 341.62 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylene-1-decalinyl]methyl]-4-hydroxybenzoic acid methyl ester
  • 3-[[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]methyl]-4-hydroxy-benzoic acid methyl ester
  • methyl 3-[[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]methyl]-4-hydroxy-benzoate
  • methyl 3-[[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]methyl]-4-hydroxy-benzoate
  • methyl 3-[[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]methyl]-4-hydroxybenzoate
InChIKey WNSIKCDGFAFGBP-DQOBCGMHSA-N
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