(3Ar,4S,6E,10Z,11Ar)-10-(Hydroxymethyl)-6-Methyl-3-Methylene-2-Oxo-2,3,3A,4,5,8,9,11A-Octahydrocyclodeca[B]Furan-4-Yl 2-(Hydroxymethyl)Acrylate

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Properties Simple | Detailed

Formula C19H24O6
IUPAC Name [(3ar,4s,6e,10z,11ar)-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
Molecular Mass 348.390 g·mol−1
Heat of Formation -879.0 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 420.04 Å 3
Surface Area 338.74 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(hydroxymethyl)prop-2-enoic acid [(3ar,4s,6e,10z,11ar)-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
  • 2-methylolacrylic acid [(3ar,4s,6e,10z,11ar)-2-keto-6-methyl-3-methylene-10-methylol-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester
  • [(3ar,4s,6e,10z,11ar)-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
  • [(3ar,4s,6e,10z,11ar)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
  • acon1_000389
  • megxp0_001130
  • onopordopicrin
CAS Number(s)
  • 19889-00-0
InChIKey NOZAJYKZMCFNFG-WULVTUHRSA-N
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