9-Acetoxy-7-Hydroxy-6,10-Dimethyl-3-Methylene-2-Oxo-2,3,3A,4,7,8,9,11A-Octahydrocyclodeca[B]Furan-4-Yl (2Z)-2-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C22H28O7
IUPAC Name [(3ar,4r,5z,7s,9s,10z,11ar)-9-acetoxy-7-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (z)-2-methylbut-2-enoate
Molecular Mass 404.454 g·mol−1
Heat of Formation -1146.2 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 486.85 Å 3
Surface Area 365.89 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-methylbut-2-enoic acid [(3ar,4r,5z,7s,9s,10z,11ar)-9-acetoxy-7-hydroxy-2-keto-6,10-dimethyl-3-methylene-3a,4,7,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester
  • (z)-2-methylbut-2-enoic acid [(3ar,4r,5z,7s,9s,10z,11ar)-9-acetoxy-7-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
  • 2-butenoic acid, 2-methyl-, 9-(acetyloxy)-2,3,3a,4,7,8,9,11a-octahydro-7-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (3ar-(3ar*,4r*(z),5z,7s*,9s*,10z,11ar*))-
  • [(3ar,4r,5z,7s,9s,10z,11ar)-9-acetoxy-7-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (z)-2-methylbut-2-enoate
  • [(3ar,4r,5z,7s,9s,10z,11ar)-9-acetyloxy-7-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (z)-2-methylbut-2-enoate
InChIKey LVPCBECJXWCROK-WBSXLFJVSA-N
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