(2Z)-2-({[(2E)-3-(7-Methoxy-1,3-Benzodioxol-5-Yl)-2-Propen-1-Yl]Oxy}Carbonyl)-2-Buten-1-Yl (2Z)-2-Methyl-2-Butenoate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H24O7
IUPAC Name [(e)-3-(7-methoxy-1,3-benzodioxol-5-yl)allyl] (z)-2-[[(z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
Molecular Mass 388.411 g·mol−1
Heat of Formation -960.6 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 470.85 Å 3
Surface Area 374.88 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-methylbut-2-enoic acid [(z)-2-[(e)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoxy]carbonylbut-2-enyl] ester
  • (z)-2-methylbut-2-enoic acid [(z)-2-[[(e)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoxy]-oxomethyl]but-2-enyl] ester
  • 2-butenoic acid, 2-methyl-, 2-(((3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenyl)oxy)carbonyl)-2-butenyl ester, (z,z,?)-
  • [(z)-2-[(e)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoxy]carbonylbut-2-enyl] (z)-2-methylbut-2-enoate
  • anthriscusin
  • o-((z)-2-angeloyloxymethyl-2-butenoyl)-3-methoxy-4, 5-methylenedioxycinnamyl alcohol
CAS Number(s)
  • 67008-16-6
InChIKey FHPUFLKSIYHWOR-SBRHMQLSSA-N
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