6,11-Dihydroxy-8,9-Bis[(2S)-2-Hydroxypropyl]-7,10-Dimethoxyperylo[1,12-Def][1,3]Dioxepine-5,12-Dione

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Formula C29H26O10
IUPAC Name 6,11-dihydroxy-8,9-bis[(2s)-2-hydroxypropyl]-7,10-dimethoxyperylo[1,12-def][1,3]dioxepine-5,12-dione
Molecular Mass 534.511 g·mol−1
Heat of Formation -1332.0 ± 16.7 kJ·mol−1
Dipole Moment 9.96 ± 1.08 D
Volume 580.71 Å 3
Surface Area 435.91 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -2.15 ± eV
Point Group Symmetry C2
Synonyms
  • cercosporin
  • cercosporin, pure
CAS Number(s)
  • 35082-49-6
InChIKey MXLWQNCWIIZUQT-QWRGUYRKSA-N
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Elements H C O