Botrydial

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Formula C17H26O5
IUPAC Name [(1s,3ar,4s,6r,7s,7as)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] acetate
Molecular Mass 310.385 g·mol−1
Heat of Formation -1016.5 ± 16.7 kJ·mol−1
Dipole Moment 7.14 ± 1.08 D
Volume 381.74 Å 3
Surface Area 301.81 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3ar,4s,6r,7s,7as)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1h-inden-4-yl acetate
  • [(1s,3ar,4s,6r,7s,7as)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] acetate
  • [(1s,3ar,4s,6r,7s,7as)-7a-hydroxy-1,7-dimethanoyl-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] ethanoate
  • acetic acid [(1s,3ar,4s,6r,7s,7as)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroinden-4-yl] ester
CAS Number(s)
  • 54986-75-3
InChIKey SJFIYVCSGNWVPJ-GKKOWQTJSA-N
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