(3Ar,4R,6Z,8S,10Z,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-(Acetoxymethyl)-2-Butenoate

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Properties Simple | Detailed

Formula C22H28O7
IUPAC Name [(3ar,4r,6z,8s,10z,11ar)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (z)-2-(acetoxymethyl)but-2-enoate
Molecular Mass 404.454 g·mol−1
Heat of Formation -1191.5 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 486.26 Å 3
Surface Area 381.94 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-(acetoxymethyl)but-2-enoic acid [(3ar,4r,6z,8s,10z,11ar)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
  • 2-butenoic acid, 2-((acetyloxy)methyl)-, 2,3,3a,4,5,8,9,11a-octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (3ar-(3ar*,4r*(z),6e,8s*,10e,11ar*))-
  • [(3ar,4r,6z,8s,10z,11ar)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (z)-2-(acetoxymethyl)but-2-enoate
  • [(3ar,4r,6z,8s,10z,11ar)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (z)-2-(acetyloxymethyl)but-2-enoate
  • acetic acid [(z)-2-[[(3ar,4r,6z,8s,10z,11ar)-8-hydroxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl]oxycarbonyl]but-2-enyl] ester
InChIKey WTROTTYFRJDSKY-ZNPPWZIESA-N
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