Cynaropicrin

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Properties Simple | Detailed

Formula C19H22O6
IUPAC Name [(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
Molecular Mass 346.374 g·mol−1
Heat of Formation -848.2 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 414.75 Å 3
Surface Area 337.12 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(hydroxymethyl)prop-2-enoic acid [(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] ester
  • 2-methylolacrylic acid [(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-2-keto-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-4-yl] ester
  • 2-propenoic acid, 2-(hydroxymethyl)-, (3ar,4s,6ar,8s,9ar,9br)-dodecahydro-8-hydroxy-3,6,9-tris(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester
  • 2-propenoic acid, 2-(hydroxymethyl)-, dodecahydro-8-hydroxy-3,6,9-tris(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester, (3ar-(3aalpha,4alpha,6aalpha,8beta,9aalpha,9bbeta))-
  • [(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
  • [(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
  • acon1_000045
  • megxp0_001095
CAS Number(s)
  • 35730-78-0
InChIKey KHSCYOFDKADJDJ-NQLMQOPMSA-N
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