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Substance Name: Vescalagin, (33beta)-
RN: 24312-00-3
InChIKey: UDYKDZHZAKSYCO-UHFFFAOYSA-N

Molecular Formula

  • C41-H26-O26

Molecular Weight

  • 934.63
 
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Names and Synonyms

Synonyms

  • Castalagin
  • NSC 297535

Systematic Name

  • Vescalagin, (33beta)-

Registry Numbers

CAS Registry Number

  • 24312-00-3

System Generated Number

  • 0024312003

Structure Descriptors

InChI

1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2

InChIKey

UDYKDZHZAKSYCO-UHFFFAOYSA-N

Smiles

c1c(O)c(c(c2c3c(C(O[C@@H]4[C@@H](COC(c12)=O)OC(c1c(c2c(c(c(O)c5c6c7C(O[C@@H]([C@@H]4OC(c25)=O)[C@@H](O)c7c(O)c(O)c6O)=O)O)O)c(c(c(c1)O)O)O)=O)=O)cc(O)c(O)c3O)O)O