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

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Properties Simple | Detailed

Formula C20H26O6
IUPAC Name [(3ar,4r,6e,8s,10e,11ar)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (z)-2-(hydroxymethyl)but-2-enoate
Molecular Mass 362.417 g·mol−1
Heat of Formation -945.5 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 443.89 Å 3
Surface Area 341.81 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-(hydroxymethyl)but-2-enoic acid [(3ar,4r,8s,10e,11ar)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
  • (z)-2-methylolbut-2-enoic acid [(3ar,4r,8s,10e,11ar)-8-hydroxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester
  • [(3ar,4r,8s,10e,11ar)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (z)-2-(hydroxymethyl)but-2-enoate
  • [(3ar,4r,8s,10e,11ar)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (z)-2-(hydroxymethyl)but-2-enoate
InChIKey JZJVLLYTTWUPBF-CKHXMIEZSA-N
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