4-{(5S,6E)-7-[(2R,3S,4S,5S,6E,10E)-4-Hydroxy-5-Methoxy-3-Methyl-12-Oxooxacyclododeca-6,10-Dien-2-Yl]-5-Methyl-4-Oxo-6-Octen-1-Yl}-2,6-Piperidinedione

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Formula C27H39NO7
IUPAC Name 4-[(e,5s)-7-[(2r,3s,4s,5s,6e,10e)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione
Molecular Mass 489.601 g·mol−1
Heat of Formation -1326.5 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 619.98 Å 3
Surface Area 439.33 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(e,5s)-7-[(2r,3s,4s,5s,6e,10e)-4-hydroxy-12-keto-5-methoxy-3-methyl-1-oxacyclododeca-6,10-dien-2-yl]-4-keto-5-methyl-oct-6-enyl]piperidine-2,6-quinone
  • 4-[(e,5s)-7-[(2r,3s,4s,5s,6e,10e)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxo-oct-6-enyl]piperidine-2,6-dione
InChIKey TYTDEHCAAKKYOG-FEJRZXFSSA-N
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