1,3,4,6,8,15-Hexahydroxy-10-(Hydroxymethyl)-13-Methyldibenzo[A,O]Perylene-7,16-Dione

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Formula C30H18O9
IUPAC Name 1,3,4,6,8,15-hexahydroxy-10-(hydroxymethyl)-13-methyldibenzo[a,o]perylene-7,16-dione
Molecular Mass 522.459 g·mol−1
Heat of Formation -1211.8 ± 16.7 kJ·mol−1
Dipole Moment 9.74 ± 1.08 D
Volume 531.74 Å 3
Surface Area 422.24 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -2.14 ± eV
Point Group Symmetry C1
Synonyms
  • protopseudohypericin
CAS Number(s)
  • 54328-09-5
InChIKey QFAPJWSQKUFHAP-UHFFFAOYSA-N
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Elements H C O