(3Ar,4S,6Z,10E,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,6z,10e,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 -904.9 ± 16.7 kJ·mol−1
Dipole Moment 6.99 ± 1.08 D
Volume 420.17 Å 3
Surface Area 338.22 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(hydroxymethyl)prop-2-enoic acid [(3ar,4s,6z,10e,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,6z,10e,11ar)-2-keto-6-methyl-3-methylene-10-methylol-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester
  • 2-propenoic acid, 2-(hydroxymethyl)-, 2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (3ar-(3ar*,4s*,6e,10z,11ar*))-
  • [(3ar,4s,6z,10e,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,6z,10e,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
CAS Number(s)
  • 27787-73-1
InChIKey NOZAJYKZMCFNFG-DGKKXOEVSA-N
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