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Procyanidin B5 information


Procyanidin B5
Chemical structure of procyanidin B5
Names
IUPAC name
[(2R,3R,4S)-Flavan-3,3′,4′,5,7-pentol]-(4→6)-[(2R,3R)-flavan-3,3′,4′,5,7-pentol]
Systematic IUPAC name
(2R,2′R,3R,3′R,4S)-2,2′-Bis(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2H,2′H-[4,6′-bi-1-benzopyran]-3,3′,5,5′,7,7′-hexol
Other names
Procyanidin B5
Identifiers
CAS Number
  • 12798-57-1 checkY
3D model (JSmol)
  • Interactive image
ChEBI
  • CHEBI:75621
ChEMBL
  • ChEMBL506487
ChemSpider
  • 110533
KEGG
  • C17640
PubChem CID
  • 124017
UNII
  • W51N19H6K6 checkY
CompTox Dashboard (EPA)
  • DTXSID00155761 Edit this at Wikidata
InChI
  • InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28-,29-,30-/m1/s1
    Key: GMISZFQPFDAPGI-CVJZBMGUSA-N
  • InChI=1/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28-,29-,30-/m1/s1
    Key: GMISZFQPFDAPGI-CVJZBMGUBO
SMILES
  • O[C@@H]1Cc2c(O[C@@H]1c1ccc(O)c(O)c1)cc(O)c([C@@H]1[C@@H](O)[C@H](Oc3cc(O)cc(O)c13)c1ccc(O)c(O)c1)c2O
Properties
Chemical formula
C30H26O12
Molar mass 578.52 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Procyanidin B5 is a B type proanthocyanidin.

Procyanidin B5 is an epicatechin-(4β → 6)-epicatechin dimer.

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