(4As,12Br)-8,10-Dihydroxy-2-(Hydroxymethyl)-5,5-Dimethyl-3,4A,5,12B-Tetrahydro-4H-Dibenzo[C,G]Chromene-7,12-Dione

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Formula C20H20O6
IUPAC Name (4as,12br)-8,10-dihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
Molecular Mass 356.369 g·mol−1
Heat of Formation -896.1 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 396.59 Å 3
Surface Area 337.89 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,12br)-8,10-dihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[3,2-c]isochromene-7,12-dione
  • (4as,12br)-8,10-dihydroxy-5,5-dimethyl-2-methylol-3,4,4a,12b-tetrahydronaphtho[3,2-c]isochromene-7,12-quinone
  • 4h-benzo(d)naphtho(2,3-b)pyran-7,12-dione, 3,4a,5,12b-tetrahydro-8,10-dihydroxy-2-(hydroxymethyl)-5,5-dimethyl-, (4as-cis)-
  • naphthgeranine b
CAS Number(s)
  • 137109-44-5
InChIKey PTWDQKQKJHACJW-YPMHNXCESA-N
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