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

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Properties Simple | Detailed

Formula C20H24O6
IUPAC Name [(3ar,4s,6e,9z,11s,11as)-11-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-4,5,11,11a-tetrahydro-3ah-cyclodeca[b]furan-4-yl] (e)-2-methylbut-2-enoate
Molecular Mass 360.401 g·mol−1
Heat of Formation -914.2 ± 16.7 kJ·mol−1
Dipole Moment 6.67 ± 1.08 D
Volume 428.09 Å 3
Surface Area 350.97 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-methylbut-2-enoic acid [(3ar,4s,6e,9z,11s,11as)-11-hydroxy-2,8-diketo-6,10-dimethyl-3-methylene-4,5,11,11a-tetrahydro-3ah-cyclodeca[d]furan-4-yl] ester
  • (e)-2-methylbut-2-enoic acid [(3ar,4s,6e,9z,11s,11as)-11-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-4,5,11,11a-tetrahydro-3ah-cyclodeca[b]furan-4-yl] ester
  • [(3ar,4s,6e,9z,11s,11as)-11-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-4,5,11,11a-tetrahydro-3ah-cyclodeca[b]furan-4-yl] (e)-2-methylbut-2-enoate
  • [(3ar,4s,6e,9z,11s,11as)-11-hydroxy-6,10-dimethyl-3-methylidene-2,8-dioxo-4,5,11,11a-tetrahydro-3ah-cyclodeca[b]furan-4-yl] (e)-2-methylbut-2-enoate
  • molephantinin
CAS Number(s)
  • 56221-98-8
InChIKey VUURQISRHJCAJY-CXRMMEALSA-N
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