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Substance Name: Procyanidin B2 3,3'-di-O-gallate
RN: 79907-44-1
InChIKey: KTLUHRSHFRODPS-RIQPQZJCSA-N

Molecular Formula

  • C44-H34-O20

Molecular Weight

  • 882.733
 
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Names and Synonyms

Results Name

  • Procyanidin B2 3,3'-di-O-gallate

Synonym

  • Procyanidin B2 3,3'-di-O-gallate

Systematic Name

  • Benzoic acid, 3,4,5-trihydroxy-, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-5,5',7,7'-tetrahydroxy(4,8'-bi-2H-1-benzopyran)-3,3'-diyl ester, (2R-(2alpha,3alpha,4beta(2'R*,3'R*)))-

Registry Numbers

CAS Registry Number

  • 79907-44-1

System Generated Number

  • 0079907441

Structure Descriptors

InChI

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

InChIKey

KTLUHRSHFRODPS-RIQPQZJCSA-N

Smiles

c1(c2c(C[C@H]([C@H](O2)c2cc(O)c(cc2)O)OC(c2cc(O)c(c(c2)O)O)=O)c(cc1O)O)[C@@H]1[C@H]([C@@H](c2cc(O)c(cc2)O)Oc2c1c(cc(O)c2)O)OC(c1cc(O)c(c(c1)O)O)=O