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Substance Name: Remurin B
RN: 140187-45-7
InChIKey: MRVGGLFDCQXIGK-UHFFFAOYSA-N

Molecular Formula

  • C41-H30-O27

Molecular Weight

  • 954.661
 
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Names and Synonyms

Results Name

  • Remurin B

Synonym

  • Remurin B

Systematic Name

  • D-Glucose, cyclic 4,6-((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 2-(2-(5-carboxy-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoate) 3-(3,4,5-trihydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 140187-45-7

System Generated Number

  • 0140187457

Structure Descriptors

InChI

1S/C41H30O27/c42-8-23(66-41(63)14-7-20(48)30(54)33(57)34(14)65-22-4-10(37(58)59)1-17(45)27(22)51)36(68-38(60)11-2-15(43)26(50)16(44)3-11)35-21(49)9-64-39(61)12-5-18(46)28(52)31(55)24(12)25-13(40(62)67-35)6-19(47)29(53)32(25)56/h1-8,21,23,35-36,43-57H,9H2,(H,58,59)

InChIKey

MRVGGLFDCQXIGK-UHFFFAOYSA-N

Smiles

c1c(cc(c(c1O)O)O)C(=O)OC(C2C(COC(=O)c3cc(c(c(c3-c4c(cc(c(c4O)O)O)C(=O)O2)O)O)O)O)C(C=O)OC(=O)c5cc(c(c(c5Oc6cc(cc(c6O)O)C(=O)O)O)O)O