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Substance Name: Cornusiin B
RN: 95263-70-0
InChIKey: IBUZLJOVINHPCM-UHFFFAOYSA-N

Note

  • Isolated from Cornus officinalis.

Molecular Formula

  • C48-H30-O30

Molecular Weight

  • 1086.73
 
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Names and Synonyms

Name of Substance

  • Cornusiin B

Systematic Name

  • D-Glucose, cyclic 4,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 2-(2-((5,10-dihydro-3,7,8-trihydroxy-5,10-dioxo(1)benzopyrano(5,4,3-cde)-(1)benzopyran-2-yl)oxy)-3,4,5-trihydroxybenzoate) 3-(3,4,5-trihydroxybenzoate), stereoisomer

Registry Numbers

CAS Registry Number

  • 95263-70-0

System Generated Number

  • 0095263700

Structure Descriptors

InChI

1S/C48H30O30/c49-8-24(74-48(71)15-6-20(54)32(60)37(65)38(15)73-23-7-14-28-27-13(46(69)78-42(28)34(23)62)5-21(55)33(61)41(27)77-47(14)70)40(76-43(66)10-1-16(50)29(57)17(51)2-10)39-22(56)9-72-44(67)11-3-18(52)30(58)35(63)25(11)26-12(45(68)75-39)4-19(53)31(59)36(26)64/h1-8,22,24,39-40,50-65H,9H2

InChIKey

IBUZLJOVINHPCM-UHFFFAOYSA-N

Smiles

c1(C(O[C@@H]([C@@H](OC(c2c(c(c(c(O)c2)O)O)Oc2cc3c(oc4c5c3c(oc(=O)c5cc(c4O)O)c2O)=O)=O)C=O)[C@@H]2[C@@H](COC(c3c(c4c(C(O2)=O)cc(c(c4O)O)O)c(c(c(c3)O)O)O)=O)O)=O)cc(c(O)c(c1)O)O