(2R,2'R,3R,3'R,4R)-2'-(3,5-Dihydroxy-4-Methoxyphenyl)-2-(4-Hydroxyphenyl)-3,3',4,4'-Tetrahydro-2H,2'H-4,8'-Bichromene-3,3',5,5',7,7'-Hexol

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Properties Simple | Detailed

Formula C31H28O12
IUPAC Name (2r,3r,4r)-4-[(2r,3r)-2-(3,5-dihydroxy-4-methoxy-phenyl)-3,5,7-trihydroxy-chroman-8-yl]-2-(4-hydroxyphenyl)chromane-3,5,7-triol
Molecular Mass 592.547 g·mol−1
Heat of Formation -1812.7 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 634.11 Å 3
Surface Area 510.21 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r)-4-[(2r,3r)-2-(3,5-dihydroxy-4-methoxy-phenyl)-3,5,7-trihydroxy-chroman-8-yl]-2-(4-hydroxyphenyl)chroman-3,5,7-triol
  • (2r,3r,4r)-4-[(2r,3r)-2-(3,5-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxy-8-chromanyl]-2-(4-hydroxyphenyl)chroman-3,5,7-triol
  • (2r,3r,4r)-4-[(2r,3r)-2-(3,5-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxychroman-8-yl]-2-(4-hydroxyphenyl)chroman-3,5,7-triol
InChIKey JPFCOVZKLAXXOE-NFJBMHMQSA-N
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