(3As,4R,5Z,7S,9S,10Z,11Ar)-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 [(3as,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 -1179.1 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 493.95 Å 3
Surface Area 366.02 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-methylbut-2-enoic acid [(3as,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 [(3as,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
  • [(3as,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
  • [(3as,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
CAS Number(s)
  • 33854-15-8
InChIKey LVPCBECJXWCROK-IYZBVFDJSA-N
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