(2S,3R,4R,4As,8Ar)-2,4,7,8A-Tetramethyl-6-Oxo-2,3,4,4A,6,8A-Hexahydropyrano[3,2-B]Pyran-3-Yl (2E,4S)-4-Hydroxy-2-Octenoate

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Properties Simple | Detailed

Formula C20H30O6
IUPAC Name [(4ar,6s,7r,8r,8as)-3,4a,6,8-tetramethyl-2-oxo-6,7,8,8a-tetrahydropyrano[3,2-b]pyran-7-yl] (e,4s)-4-hydroxyoct-2-enoate
Molecular Mass 366.449 g·mol−1
Heat of Formation -1137.8 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 454.98 Å 3
Surface Area 399.11 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • (e,4s)-4-hydroxyoct-2-enoic acid [(4ar,6s,7r,8r,8as)-2-keto-3,4a,6,8-tetramethyl-6,7,8,8a-tetrahydropyrano[2,3-e]pyran-7-yl] ester
  • (e,4s)-4-hydroxyoct-2-enoic acid [(4ar,6s,7r,8r,8as)-3,4a,6,8-tetramethyl-2-oxo-6,7,8,8a-tetrahydropyrano[2,3-e]pyran-7-yl] ester
  • [(4ar,6s,7r,8r,8as)-3,4a,6,8-tetramethyl-2-oxo-6,7,8,8a-tetrahydropyrano[2,3-e]pyran-7-yl] (e,4s)-4-hydroxyoct-2-enoate
  • botcinins d
InChIKey QJUKURZOKSVYNB-QMYRPDPQSA-N
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