(1R,3S,6Br)-3-Ethoxy-1,4,9-Trihydroxy-2,3,6B,7-Tetrahydrobenzo[J]Fluoranthen-8(1H)-One

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Formula C22H20O5
IUPAC Name (1r,3s,6br)-3-ethoxy-1,4,9-trihydroxy-2,3,6b,7-tetrahydrobenzo[j]fluoranthen-8(1h)-one
Molecular Mass 364.391 g·mol−1
Heat of Formation -654.6 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 411.32 Å 3
Surface Area 345.72 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 3-ethoxy-1,4,9-trihydroxy-1,2,3,6b-tetrahydrobenzo[j]fluoranthen-8(7h)-one
  • 3-ethoxy-1,4,9-trihydroxy-2,3,6b,7-tetrahydro-1h-benzo[j]fluoranthen-8-one
  • 3-ethoxy-1,4,9-trihydroxy-2,3,6b,7-tetrahydrobenzo[j]fluoranthen-8(1h)-one
  • benzo[j]fluoranthen-8(1h)-one, 3-ethoxy-2,3,6b,7-tetrahydro-1,4,9-trihydroxy-
  • hypoxylonol a
InChIKey DSVFBOXMAJTYHV-JLZZUVOBSA-N
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