(4As,12Br)-8,10-Dihydroxy-2,5,5,9-Tetramethyl-3,4A,5,12B-Tetrahydro-4H-Dibenzo[C,G]Chromene-7,12-Dione

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Properties Simple | Detailed

Formula C21H22O5
IUPAC Name (4as,12br)-8,10-dihydroxy-2,5,5,9-tetramethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
Molecular Mass 354.396 g·mol−1
Heat of Formation -775.6 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 405.7 Å 3
Surface Area 346.54 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,12br)-8,10-dihydroxy-2,5,5,9-tetramethyl-3,4,4a,12b-tetrahydronaphtho[3,2-c]isochromene-7,12-dione
  • (4as,12br)-8,10-dihydroxy-2,5,5,9-tetramethyl-3,4,4a,12b-tetrahydronaphtho[3,2-c]isochromene-7,12-quinone
  • (4as-cis)-3,4a,5,12b-tetrahydro-8,10-dihydroxy-2,5,5,9-tetramethyl-4h-benzo(d)naphtho(2,3-b)pyran-7,12-dione
  • 4h-benzo(d)naphtho(2,3-b)pyran-7,12-dione, 3,4a,5,12b-tetrahydro-8,10-dihydroxy-2,5,5,9-tetramethyl-
  • naphterpin
CAS Number(s)
  • 128505-88-4
InChIKey GTEXXGIEZVKSLH-YPMHNXCESA-N
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