(1β,11β,12Alpha,15β)-1,11,12,13,15-Pentahydroxypicras-3-Ene-2,16-Dione

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Formula C20H28O8
IUPAC Name (1r,2s,3s,7s,9r,12r,13s,14s,15s,16r,17r)-3,12,14,15,16-pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione
Molecular Mass 396.432 g·mol−1
Heat of Formation -1494.2 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 439.27 Å 3
Surface Area 328.11 Å 2
HOMO Energy -10.23 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • soulameanone
CAS Number(s)
  • 74133-46-3
InChIKey IIIGLEGIVYUBSZ-DLQQLGBXSA-N
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