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Substance Name: Terchebin
RN: 20598-45-2
InChIKey: NUPTUAXNMUIMFS-MIHIQLSESA-N

Molecular Formula

  • C41-H30-O27

Molecular Weight

  • 954.661
 
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Names and Synonyms

Results Name

  • Terchebin

Synonym

  • Terchebin

Systematic Name

  • beta-D-Glucopyranose, cyclic 2-7:4-5-(3,6-dihydro-2,9.10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate) 1,3,6-tris(3,4,5-trihydroxybenzoate), (2(2S))-

Registry Numbers

CAS Registry Number

  • 20598-45-2

System Generated Number

  • 0020598452

Structure Descriptors

InChI

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

NUPTUAXNMUIMFS-MIHIQLSESA-N

Smiles

c1c(cc(c(c1O)O)O)C(=O)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c5cc(c(c6c5[C@@H]7C(=CC(=O)C(C7(O6)O)(O)O)C(=O)O3)O)O)OC(=O)c8cc(c(c(c8)O)O)O