(2R,2'R,3R,3'R,4S)-2,2'-Bis(3,4-Dihydroxyphenyl)-3,3',4,4'-Tetrahydro-2H,2'H-4,6'-Bichromene-3,3',5,5',7,7'-Hexol

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Properties Simple | Detailed

Formula C30H26O12
IUPAC Name (2r,3r,4s)-2-(3,4-dihydroxyphenyl)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-6-yl]chromane-3,5,7-triol
Molecular Mass 578.520 g·mol−1
Heat of Formation -1811.9 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 615.62 Å 3
Surface Area 509.03 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s)-2-(3,4-dihydroxyphenyl)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-chromanyl]chroman-3,5,7-triol
  • (2r,3r,4s)-2-(3,4-dihydroxyphenyl)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-6-yl]chroman-3,5,7-triol
  • (2r,3r,4s)-2-(3,4-dihydroxyphenyl)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-6-yl]chroman-3,5,7-triol
  • (4,6'-bi-2h-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2r-(2-alpha,3-alpha,4-beta(2'r*,3'r*)))-
  • epicatechin-(4.beta.-->6)epicatechin
  • procyanidol b5
CAS Number(s)
  • 12798-57-1
InChIKey GMISZFQPFDAPGI-CVJZBMGUSA-N
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