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

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Properties Simple | Detailed

Formula C20H20O7
IUPAC Name (3s,4as,12br)-3,8,10-trihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
Molecular Mass 372.369 g·mol−1
Heat of Formation -1050.0 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 413.04 Å 3
Surface Area 343.07 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4as,12br)-3,8,10-trihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[3,2-c]isochromene-7,12-dione
  • (3s,4as,12br)-3,8,10-trihydroxy-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-3,8,10-trihydroxy-2-(hydroxymethyl)-5,5-dimethyl-, (3s-(3alpha,4aalpha,12balpha))-
  • naphthgeranine c
CAS Number(s)
  • 137109-45-6
InChIKey SAUXNHFIRMCZCG-WXHSDQCUSA-N
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