(1S,2R,5S,8S,9S,10S,11R,12R,13R,16R)-8,9,12-Trihydroxy-2,6,10,16-Tetramethyl-14-Oxatetracyclo[11.2.1.0~2,11~.0~5,10~]Hexadec-6-Ene-3,15-Dione

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Formula C19H26O6
IUPAC Name (1s,2r,5s,8s,9s,10s,11r,12r,13r,16r)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.0 2,11 .0 5,10 ]hexadec-6-ene-3,15-dione
Molecular Mass 350.406 g·mol−1
Heat of Formation -1102.3 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 401.69 Å 3
Surface Area 311.12 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-methanonaphth[1,2-d]oxepin-4,6-dione, 1,2,5,5a,7,7a,10,11,11a,11b-decahydro-1,10,11-trihydroxy-5a,8,11a,12-tetramethyl-, (1r,5ar,11s,11as)-
  • eurycolactone e
  • rel-(1r,5ar,11s,11as)-1,10,11-trihydroxy-5a,8,11a,12-tetramethyl-1,2,5,5a,7,7a,10,11,11a,11b-decahydro-2,5-methanonaphtho[1,2-d]oxepine-4,6-dione
InChIKey PFEUJUXMHXWDQS-MHSWQEBQSA-N
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