(1S,2R)-1-Acetyl-2,5,12-Trihydroxy-4,8,9,13-Tetramethoxy-2-Methyl-2,3-Dihydro-1H-Cyclohepta[Ghi]Perylene-6,11-Dione

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Properties Simple | Detailed

Formula C30H26O10
IUPAC Name (1s,2r)-1-acetyl-2,5,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-2,3-dihydro-1h-cyclohepta[ghi]perylene-6,11-dione
Molecular Mass 546.521 g·mol−1
Heat of Formation -1382.9 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 582.58 Å 3
Surface Area 430.07 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -2.50 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-cyclohepta(ghi)perylene-5,11-dione, 1-acetyl-2,3-dihydro-2,6,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-, (1r,2s)-rel-
  • 1h-cyclohepta(ghi)perylene-5,11-dione, 1-acetyl-2,3-dihydro-2,6,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-, cis-
  • hypocrellin
CAS Number(s)
  • 77029-83-5
InChIKey VANSZAOQCMTTPB-SETSBSEESA-N
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