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Substance Name: Cucumarioside A7-3
RN: 172304-09-5
InChIKey: MKLHMAGYODOFTK-UHFFFAOYSA-K

Molecular Formula

  • C59-H94-O34-S3.3Na

Molecular Weight

  • 1509.5
 
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Names and Synonyms

Results Name

  • Cucumarioside A7-3

Synonym

  • Cucumarioside A7-3

Registry Numbers

CAS Registry Number

  • 172304-09-5

System Generated Number

  • 0172304095

Molecular Formulas

Molecular Formula

  • C59-H94-O34-S3.3Na

Molecular Formula Fragments

  • C59-H94-O34-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C59H94O34S3.3Na/c1-25(2)11-10-17-58(8)34-15-19-57(7)28-12-13-33-55(4,5)35(16-18-56(33,6)27(28)14-20-59(34,57)54(69)92-58)87-52-47(39(64)32(22-81-52)93-96(76,77)78)91-53-48(90-49-40(65)36(61)29(60)21-80-49)41(66)44(26(3)84-53)88-51-43(68)46(38(63)31(86-51)24-83-95(73,74)75)89-50-42(67)45(79-9)37(62)30(85-50)23-82-94(70,71)72;;;/h12,26-27,29-53,60-68H,1,10-11,13-24H2,2-9H3,(H,70,71,72)(H,73,74,75)(H,76,77,78);;;/q;3*+1/p-3

InChIKey

MKLHMAGYODOFTK-UHFFFAOYSA-K

Smiles

[Na+].[Na+].O(C[C@@H]1[C@@H]([C@@H](O[C@@H]2O[C@@H](COS(=O)(=O)[O-])[C@@H]([C@@H]([C@@H]2O)OC)O)[C@@H](O)[C@@H](O[C@@H]2[C@@H]([C@@H](O[C@@H]3[C@@H](O)[C@@H](O)[C@@H](O)CO3)[C@@H](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[C@@H]6[C@@](OC7=O)(C)CCCC(C)=C)C)O[C@@H]2C)O)O1)O)S(=O)([O-])=O.[Na+]