Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Cucumarioside A6-2
RN: 178209-18-2
InChIKey: HIZHYZBTVOZQAI-YYADNWRZSA-L

Molecular Formula

  • C59-H92-O32-S2.2Na

Molecular Weight

  • 1421.44
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Cucumarioside A6-2

Synonym

  • Cucumarioside A6-2

Systematic Name

  • Lanosta-7,25-dien-18-oic acid, 20-hydroxy-3-((O-3-O-methyl-6-O-sulfo-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, disodium salt, (3beta)-

Registry Numbers

CAS Registry Number

  • 178209-18-2

System Generated Number

  • 0178209182

Molecular Formulas

Molecular Formula

  • C59-H92-O32-S2.2Na

Molecular Formula Fragments

  • C59-H92-O32-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C59H92O32S2.2Na/c1-24(2)11-10-16-58(8)48-28(61)19-57(7)27-12-13-33-55(4,5)34(15-17-56(33,6)26(27)14-18-59(48,57)54(71)90-58)85-52-46(38(66)32(22-80-52)91-93(75,76)77)89-53-47(88-49-39(67)35(63)29(62)21-79-49)40(68)43(25(3)82-53)86-51-42(70)45(36(64)30(20-60)83-51)87-50-41(69)44(78-9)37(65)31(84-50)23-81-92(72,73)74;;/h12,25-26,29-53,60,62-70H,1,10-11,13-23H2,2-9H3,(H,72,73,74)(H,75,76,77);;/q;2*+1/p-2/t25-,26+,29-,30-,31-,32-,33+,34+,35+,36-,37-,38+,39-,40+,41-,42-,43-,44+,45+,46-,47-,48-,49+,50+,51+,52+,53+,56-,57+,58+,59?;;/m1../s1

InChIKey

HIZHYZBTVOZQAI-YYADNWRZSA-L

Smiles

[Na+].[Na+].O(C[C@@H]1[C@@H](O)[C@H](OC)[C@@H](O)[C@@H](O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O[C@H]2[C@H](O)[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)=O)C)O[C@@H]2C)CO)O)O1)S([O-])(=O)=O