(4As,14Cr)-11,13-Dihydroxy-2,5,5-Trimethyl-3,4A,5,14C-Tetrahydroisochromeno[4,3-A]Xanthen-14(4H)-One

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Properties Simple | Detailed

Formula C23H22O5
IUPAC Name (4as,14cr)-11,13-dihydroxy-2,5,5-trimethyl-3,4,4a,14c-tetrahydroisochromeno[4,3-a]xanthen-14-one
Molecular Mass 378.418 g·mol−1
Heat of Formation -702.2 ± 16.7 kJ·mol−1
Dipole Moment 1.44 ± 1.08 D
Volume 431.72 Å 3
Surface Area 360.34 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2)benzopyrano(4,3-a)xanthen-14(4h)-one, 3,4a,5,14c-tetrahydro-11,13-dihydroxy-2,5,5-trimethyl-, cis-
  • [2]benzopyrano[4,3-a]xanthen-14(4h)-one, 3,4a,5,14c-tetrahydro-11,13-dihydroxy-2,5,5-trimethyl-, cis-
  • calozeyloxanthone
CAS Number(s)
  • 78859-48-0
InChIKey RBXROYGIOKBJIU-KGLIPLIRSA-N
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DOI
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