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Substance Name: Cucumarioside A2-2
RN: 95499-80-2
InChIKey: WULKPPVSMODIMK-UHFFFAOYSA-M

Note

  • Isolated from Cucumaria japonica.

Molecular Formula

  • C59-H92-O29-S.Na

Molecular Weight

  • 1319.39
 
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Names and Synonyms

Results Name

  • Cucumarioside A2-2

Synonym

  • Cucumarioside A2-2

Systematic Name

  • Lanosta-7,25-dien-18-oic acid, 20-hydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1-3)-O-beta-D-glucopyranosyl-(1-4)-O-beta-D-xylopyranosyl-(1-2))-O-6-deoxy-beta-D-glucopyranosyl-(1-2)-4-O-sulfo-beta-D-xylopyranosyl)oxy)-16-oxo-, gamma-lactone, monosodium salt, (3beta)-

Registry Numbers

CAS Registry Number

  • 95499-80-2

System Generated Number

  • 0095499802

Molecular Formulas

Molecular Formula

  • C59-H92-O29-S.Na

Molecular Formula Fragments

  • C59-H92-O29-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C59H92O29S.Na/c1-24(2)11-10-16-58(8)48-28(62)19-57(7)27-12-13-33-55(4,5)34(15-17-56(33,6)26(27)14-18-59(48,57)54(72)87-58)82-52-46(38(67)32(23-78-52)88-89(73,74)75)86-53-47(85-49-39(68)35(64)29(63)22-77-49)40(69)43(25(3)79-53)83-51-42(71)45(37(66)31(21-61)81-51)84-50-41(70)44(76-9)36(65)30(20-60)80-50;/h12,25-26,29-53,60-61,63-71H,1,10-11,13-23H2,2-9H3,(H,73,74,75);/q;+1/p-1

InChIKey

WULKPPVSMODIMK-UHFFFAOYSA-M

Smiles

O1[C@@H]([C@@H]([C@@H]([C@@H](C1)O)O)O)O[C@@H]1[C@@H](O[C@@H](C)[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)OC)O)[C@@H](O)[C@@H](CO)O2)[C@@H]1O)O[C@@H]1[C@@H](OC[C@@H](OS([O-])(=O)=O)[C@@H]1O)O[C@@H]1CC[C@@]2([C@@H]3CC[C@@]45[C@@](C3=CC[C@@H]2C1(C)C)(C)CC(=O)[C@@H]4[C@@](OC5=O)(C)CCCC(C)=C)C.[Na+]