(1R,6S)-4-(Hydroxymethyl)-1-{[(1S,4As,8As)-5,5,8A-Trimethyl-2-Methylenedecahydro-1-Naphthalenyl]Methyl}-7-Oxabicyclo[4.1.0]Hept-3-Ene-2,5-Dione

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Properties Simple | Detailed

Formula C22H30O4
IUPAC Name (1s,6r)-6-[[(1s,4as,8as)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]methyl]-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
Molecular Mass 358.471 g·mol−1
Heat of Formation -537.9 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 449.55 Å 3
Surface Area 348.55 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,6s)-1-[[(1s,4as,8as)-5,5,8a-trimethyl-2-methylene-1-decalinyl]methyl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
  • (1r,6s)-1-[[(1s,4as,8as)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]methyl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
  • (1r,6s)-1-[[(1s,4as,8as)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]methyl]-4-methylol-7-oxabicyclo[4.1.0]hept-3-ene-2,5-quinone
  • (1r,6s)-1-[[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]methyl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
InChIKey IEINAOONOAUQPK-XKRAJOFMSA-N
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