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Substance Name: Procyanidin B3
RN: 23567-23-9
UNII: 2TC1A0KEAQ
InChIKey: XFZJEEAOWLFHDH-AVFWISQGSA-N

Molecular Formula

  • C30-H26-O12

Molecular Weight

  • 578.523
 
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Names and Synonyms

Results Name

  • Procyanidin B3

Name of Substance

  • Procyanidin B3

Synonyms

  • (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
  • Procyanidin B-3
  • UNII-2TC1A0KEAQ

Systematic Name

  • (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*)))-

Registry Numbers

CAS Registry Number

  • 23567-23-9

FDA UNII

  • 2TC1A0KEAQ

System Generated Number

  • 0023567239

Structure Descriptors

InChI

1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1

InChIKey

XFZJEEAOWLFHDH-AVFWISQGSA-N

Smiles

c12[C@H]([C@@H]([C@H](Oc1cc(cc2O)O)c1cc(c(cc1)O)O)O)c1c(cc(c2C[C@@H]([C@H](Oc12)c1cc(c(cc1)O)O)O)O)O