(3Ar,4S,5Ar,9Ar,9Br)-3,9-Bis(Methylene)-2,8-Dioxo-5A-Vinyldecahydro-2H-Furo[2,3-F]Isochromen-4-Yl 2-(Hydroxymethyl)Acrylate

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Properties Simple | Detailed

Formula C19H20O7
IUPAC Name [(3ar,4s,5ar,9ar,9br)-3,9-dimethylene-2,8-dioxo-5a-vinyl-3a,4,5,6,9a,9b-hexahydrofuro[2,3-f]isochromen-4-yl] 2-(hydroxymethyl)prop-2-enoate
Molecular Mass 360.358 g·mol−1
Heat of Formation -914.1 ± 16.7 kJ·mol−1
Dipole Moment 8.54 ± 1.08 D
Volume 420.7 Å 3
Surface Area 344.38 Å 2
HOMO Energy -10.45 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(hydroxymethyl)prop-2-enoic acid [(3ar,4s,5ar,9ar,9br)-3,9-dimethylene-2,8-dioxo-5a-vinyl-3a,4,5,6,9a,9b-hexahydropyrano[5,4-g]benzofuran-4-yl] ester
  • 2-methylolacrylic acid [(3ar,4s,5ar,9ar,9br)-2,8-diketo-3,9-dimethylene-5a-vinyl-3a,4,5,6,9a,9b-hexahydropyrano[5,4-g]benzofuran-4-yl] ester
  • 2-propenoic acid, 2-(hydroxymethyl)-, (3ar,4s,5ar,9ar,9br)-5a-ethenyldecahydro-3,9-bis(methylene)-2,8-dioxo-2h-furo(2,3-f)(2)benzopyran-4-yl ester
  • 2-propenoic acid, 2-(hydroxymethyl)-, 5a-ethenyldecahydro-3,9-bis(methylene)-2,8-dioxo-2h-furo(2,3-f)(2)benzopyran-4-yl ester, (3ar-(3aalpha,4alpha,5aalpha,9aalpha,9bbeta))-
  • 2h-furo(2,3-f)(2)benzopyran-2,8(3h)-dione, 3abeta,4,5,5a,6,9,9abeta,9balpha-octahydro-4beta-hydroxy-3,9-dimethylene-5abeta-vinyl-, 2-methylenehydracrylate, ( )-
  • [(3ar,4s,5ar,9ar,9br)-3,9-dimethylene-2,8-dioxo-5a-vinyl-3a,4,5,6,9a,9b-hexahydropyrano[5,4-g]benzofuran-4-yl] 2-(hydroxymethyl)prop-2-enoate
  • [(3ar,4s,5ar,9ar,9br)-5a-ethenyl-3,9-dimethylidene-2,8-dioxo-3a,4,5,6,9a,9b-hexahydrofuro[2,3-f]isochromen-4-yl] 2-(hydroxymethyl)prop-2-enoate
  • hydracrylic acid, 2-methylene-, ester with 3abeta,4,5,5a,6,9,9abeta,9balpha-octahydro-4beta-hydroxy-3,9-dimethylene-5abeta-vinyl-2h-furo(2,3-f)(2)benzopyran-2,8(3h)-dione, ( )-
  • vernodalin
CAS Number(s)
  • 21871-10-3
  • 56064-66-5
InChIKey ZSXNBLOPYIJLQV-WSVVRNJXSA-N
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