Potamogetonol

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Properties Simple | Detailed

Formula C22H32O4
IUPAC Name [(1r,4ar,5r,8ar)-5-[2-(3-furyl)ethyl]-4a-(hydroxymethyl)-1-methyl-6-methylene-decalin-1-yl]methyl acetate
Molecular Mass 360.487 g·mol−1
Heat of Formation -705.4 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 460.93 Å 3
Surface Area 372.56 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 0.68 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,4ar,5r,8ar)-5-(2-furan-3-ylethyl)-4a-(hydroxymethyl)-1-methyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2h-naphthalen-1-yl]methyl acetate
  • [(1r,4ar,5r,8ar)-5-(2-furan-3-ylethyl)-4a-(hydroxymethyl)-1-methyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2h-naphthalen-1-yl]methyl ethanoate
  • [(1r,4ar,5r,8ar)-5-[2-(3-furyl)ethyl]-4a-(hydroxymethyl)-1-methyl-6-methylene-decalin-1-yl]methyl acetate
  • acetic acid (1r,4ar,5r,8ar)-5-(2-furan-3-yl-ethyl)-4a-hydroxymethyl-1-methyl-6-methylene-decahydro-naphthalen-1-ylmethyl ester
  • acetic acid [(1r,4ar,5r,8ar)-5-[2-(3-furyl)ethyl]-1-methyl-6-methylene-4a-methylol-decalin-1-yl]methyl ester
  • acetic acid [(1r,4ar,5r,8ar)-5-[2-(3-furyl)ethyl]-4a-(hydroxymethyl)-1-methyl-6-methylene-1-decalinyl]methyl ester
InChIKey IVFPNVDGWGXPMZ-YUMYIRISSA-N
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