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Substance Name: Cucumechinoside B
RN: 125640-31-5
InChIKey: PCNIQSXRCOBXDA-UHFFFAOYSA-N

Molecular Weight

  • 1231.33
 
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Names and Synonyms

  • Cucumechinoside B

Registry Numbers

CAS Registry Number

  • 125640-31-5

System Generated Number

  • 0125640315

Structure Descriptors

InChI

1S/C53H82O28S2/c1-22(2)16-24(55)17-52(8)43-27(56)18-51(7)26-10-11-31-49(4,5)32(13-14-50(31,6)25(26)12-15-53(43,51)48(63)79-52)75-46-41(34(59)30(21-72-46)80-82(64,65)66)78-44-36(61)35(60)38(23(3)73-44)76-47-42(81-83(67,68)69)39(28(57)20-71-47)77-45-37(62)40(70-9)33(58)29(19-54)74-45/h10,22-23,25,28-47,54,57-62H,11-21H2,1-9H3,(H,64,65,66)(H,67,68,69)

InChIKey

PCNIQSXRCOBXDA-UHFFFAOYSA-N

Smiles

O1[C@@H](O[C@@H]2[C@@H](O)CO[C@@H](O[C@@H]3[C@@H]([C@@H]([C@@H](O[C@@H]3C)O[C@@H]3[C@@H](OC[C@@H](OS(O)(=O)=O)[C@@H]3O)O[C@@H]3CC[C@@]4([C@@H]5CC[C@@]67[C@@](C5=CC[C@@H]4C3(C)C)(C)CC(=O)[C@@H]6[C@@](OC7=O)(C)CC(CC(C)C)=O)C)O)O)[C@@H]2OS(O)(=O)=O)[C@@H]([C@@H]([C@@H]([C@@H]1CO)O)OC)O