(2S,2'R,3R,3'R)-3',5,5',7,7'-Pentahydroxy-2,2'-Bis(4-Hydroxyphenyl)-2,2',3,3'-Tetrahydro-4H,4'H-3,8'-Bichromene-4,4'-Dione

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Properties Simple | Detailed

Formula C30H22O11
IUPAC Name (2r,3r)-8-[(2s,3r)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chroman-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-one
Molecular Mass 558.489 g·mol−1
Heat of Formation -1607.9 ± 16.7 kJ·mol−1
Dipole Moment 6.35 ± 1.08 D
Volume 588.37 Å 3
Surface Area 457.22 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-8-[(2s,3r)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chroman-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-one
  • (2r,3r)-8-[(2s,3r)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3-chromanyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromanone
  • (2r,3r)-8-[(2s,3r)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chroman-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-one
  • (2r,3r)-8-[(2s,3r)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochroman-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-one
  • (3,8'-bi-4h-1-benzopyran)-4,4'-dione, 2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2s-(2alpha,3beta(2's*,3's*)))-
  • gb1 garcinia
CAS Number(s)
  • 111186-59-5
  • 14736-58-4
  • 25044-18-2
InChIKey AFDANKUHSLVEBJ-BENTYHEHSA-N
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