Methysticin

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Properties Simple | Detailed

Formula C15H14O5
IUPAC Name (2r)-2-[(e)-2-(1,3-benzodioxol-5-yl)vinyl]-4-methoxy-2,3-dihydropyran-6-one
Molecular Mass 274.269 g·mol−1
Heat of Formation -531.6 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 312.83 Å 3
Surface Area 297.03 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (6r)-6-[(e)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-5,6-dihydropyran-2-one
  • (6r)-6-[(e)-2-(1,3-benzodioxol-5-yl)vinyl]-4-methoxy-5,6-dihydro-2h-pyran-2-one
  • (6r)-6-[(e)-2-(1,3-benzodioxol-5-yl)vinyl]-4-methoxy-5,6-dihydropyran-2-one
  • (r)-5,6-dihydro-4-methoxy-6-(3,4-(methylenedioxy)styryl)-2h-pyran-2-one
  • (r-(e))-6-(2-(1,3-benzodioxol-5-yl)ethenyl)-5,6-dihydro-4-methoxy-2h-pyran-2-one
  • 2h-pyran-2-one, 5,6-dihydro-4-methoxy-6-(3,4-(methylenedioxy)styryl)-, (r)-
  • 2h-pyran-2-one, 5,6-dihydro-4-methoxy-6-(3,4-(methylenedioxy)styryl)-, (r)- (van) (8ci)
  • 2h-pyran-2-one, 6-(2-(1,3-benzodioxol-5-yl)ethenyl)-5,6-dihydro-4-methoxy-, (r-(e))- (9ci)
  • 4-methoxy-6-(beta-(3',4'-methylenedioxyphenyl)vinyl)-5,6-dihydro-alpha-pyrone
  • 5-hydroxy-3-methoxy-7-(3,4-(methylenedioxy)phenyl)-2,6-heptadienoic acid gamma-lactone
InChIKey GTEXBOVBADJOQH-FWEMWIAWSA-N
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