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

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Formula C20H32O7
IUPAC Name [(2s,3r,4r,4as,7s,8s,8ar)-8-hydroxy-2,4,7,8a-tetramethyl-6-oxo-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-3-yl] (e,4s)-4-hydroxyoct-2-enoate
Molecular Mass 384.464 g·mol−1
Heat of Formation -1409.2 ± 16.7 kJ·mol−1
Dipole Moment 7.27 ± 1.08 D
Volume 472.07 Å 3
Surface Area 407.28 Å 2
HOMO Energy -10.07 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • (e,4s)-4-hydroxyoct-2-enoic acid [(3s,4s,4ar,6s,7r,8r,8as)-4-hydroxy-2-keto-3,4a,6,8-tetramethyl-3,4,6,7,8,8a-hexahydropyrano[5,6-b]pyran-7-yl] ester
  • (e,4s)-4-hydroxyoct-2-enoic acid [(3s,4s,4ar,6s,7r,8r,8as)-4-hydroxy-3,4a,6,8-tetramethyl-2-oxo-3,4,6,7,8,8a-hexahydropyrano[5,6-b]pyran-7-yl] ester
  • 3-o-deacetyl-2-epi-botcinin a
  • [(3s,4s,4ar,6s,7r,8r,8as)-4-hydroxy-3,4a,6,8-tetramethyl-2-oxo-3,4,6,7,8,8a-hexahydropyrano[5,6-b]pyran-7-yl] (e,4s)-4-hydroxyoct-2-enoate
  • botcinin f
InChIKey NTXBEGLMBLTXSP-PIJDILSTSA-N
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