Hypericin

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Properties Simple | Detailed

Formula C27H8O8
IUPAC Name hypericin
Molecular Mass 460.348 g·mol−1
Heat of Formation 801.6 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 425.76 Å 3
Surface Area 353.67 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -3.80 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro [1,10,9,8-opqra]perylene-7,14-dione p-conformer
  • 1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro(1,10,9,8-opqra)perylene-7,14-dione
  • 1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione
  • 4,5,7,4',5',7'-hexahydroxy-2,2'-dimethyl-mesonapthtodianthron
  • 4,5,7,4',5',7'-hexahydroxy-2,2'-dimethylnaphthodianthrone
  • biomolki2_000040
  • biomolki_000032
  • cyclo werrol
  • cyclosan
  • drg-0113
  • hypericin from hypericum perforatum
  • hypericum red
  • phenanthro[1,10,9,8-opqra]perylene-7,14-dione, 1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-
  • phenanthro[1,10,9,8-opqra]perylene-7,14-dione,1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-, stereoisomer
  • vimrxyn
CAS Number(s)
  • 548-04-9
InChIKey BTXNYTINYBABQR-UHFFFAOYSA-N
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DOI
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