(3Ar,4S,6Ar,8S,9S,9As,9Bs)-9-(Chloromethyl)-8,9-Dihydroxy-3,6-Bis(Methylene)-2-Oxododecahydroazuleno[4,5-B]Furan-4-Yl 2-(Hydroxymethyl)Acrylate

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Properties Simple | Detailed

Formula C19H23ClO7
IUPAC Name [(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
Molecular Mass 398.835 g·mol−1
Heat of Formation -1172.8 ± 16.7 kJ·mol−1
Dipole Moment 6.34 ± 1.08 D
Volume 446.84 Å 3
Surface Area 351.75 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(hydroxymethyl)prop-2-enoic acid [(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylene-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,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-2-keto-3,6-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-4-yl] ester
  • [(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylene-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,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
CAS Number(s)
  • 64205-85-2
InChIKey UHEMKMBRGXUBMJ-URUZQALBSA-N
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