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Substance Name: Procyanidin B-5 3,3'-di-O-gallate
RN: 106533-60-2
InChIKey: LFBGVECYPPCVDS-QNPRKUGLSA-N

Molecular Weight

  • 882.7326
 
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Names and Synonyms

  • Procyanidin B-5 3,3'-di-O-gallate

Registry Numbers

CAS Registry Number

  • 106533-60-2

System Generated Number

  • 0106533602

Structure Descriptors

InChI

1S/C44H34O20/c45-19-11-25(50)34-32(12-19)62-41(16-2-4-22(47)24(49)6-16)42(64-44(60)18-9-29(54)39(58)30(55)10-18)36(34)35-26(51)14-31-20(37(35)56)13-33(40(61-31)15-1-3-21(46)23(48)5-15)63-43(59)17-7-27(52)38(57)28(53)8-17/h1-12,14,33,36,40-42,45-58H,13H2/t33-,36-,40-,41-,42-/m1/s1

InChIKey

LFBGVECYPPCVDS-QNPRKUGLSA-N

Smiles

c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O)[C@H]4c5c(cc(cc5O[C@@H]([C@@H]4OC(=O)c6cc(c(c(c6)O)O)O)c7ccc(c(c7)O)O)O)O)O)O2)OC(=O)c8cc(c(c(c8)O)O)O)O)O