Procyanidin B-3

Molecule SVG Image

Properties Simple | Detailed

Formula C30H26O12
IUPAC Name (2r,3s)-2-(3,4-dioxidobenzene-2,5,6-triid-1-yl)-8-[(2r,3s,4s)-2-(3,4-dioxidobenzene-2,5,6-triid-1-yl)-3-hydroxy-5,7-dioxido-chroman-4-yl]chromane-3,5,7-triolate
Molecular Mass 578.520 g·mol−1
Heat of Formation 498.1 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 590.73 Å 3
Surface Area 430.69 Å 2
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s)-2-(3,4-dihydroxyphenyl)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-chromanyl]chroman-3,5,7-triol
  • (2r,3s,4s)-2-(3,4-dihydroxyphenyl)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chroman-3,5,7-triol
  • (2r,3s,4s)-2-(3,4-dihydroxyphenyl)-4-[(2r,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-8-yl]chroman-3,5,7-triol
  • (2r-(2alpha,3beta,4alpha(2'r*,3's*)))-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-(4,8'-bi-2h-1-benzopyran)-3,3',5,5',7,7'-hexol
  • (4,8'-bi-2h-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2r-(2alpha,3beta,4alpha(2'r*,3's*)))-
  • catechin-(4.alpha.-->8)catechin
CAS Number(s)
  • 23567-23-9
InChIKey XFZJEEAOWLFHDH-AVFWISQGSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O