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Substance Name: Isoterchebin
RN: 58690-20-3
InChIKey: QFJVFTCFAZSXCY-QTXLKUQUSA-N

Molecular Formula

  • C41-H30-O27

Molecular Weight

  • 954.661
 
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Names and Synonyms

Results Name

  • Isoterchebin

Synonym

  • Isoterchebin

Systematic Name

  • beta-D-Glucopyranose, cyclic 4-7:6-5-((2S,6S)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate) 1,2,3-tris(3,4,5-trihydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 58690-20-3

System Generated Number

  • 0058690203

Structure Descriptors

InChI

1S/C41H30O27/c42-15-1-10(2-16(43)26(15)50)34(54)65-32-30-22(9-62-37(57)14-8-23(49)41(61)40(59,60)25(14)24-13(38(58)64-30)7-21(48)29(53)31(24)68-41)63-39(67-36(56)12-5-19(46)28(52)20(47)6-12)33(32)66-35(55)11-3-17(44)27(51)18(45)4-11/h1-8,22,25,30,32-33,39,42-48,50-53,59-61H,9H2/t22-,25?,30-,32?,33?,39?,41-/m1/s1

InChIKey

QFJVFTCFAZSXCY-QTXLKUQUSA-N

Smiles

c1c(cc(c(c1O)O)O)C(=O)OC2[C@H]3[C@@H](COC(=O)C4=CC(=O)[C@@]5(C(C4c6c(cc(c(c6O5)O)O)C(=O)O3)(O)O)O)OC(C2OC(=O)c7cc(c(c(c7)O)O)O)OC(=O)c8cc(c(c(c8)O)O)O