Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Echinoside A
RN: 75410-53-6
InChIKey: JEBRMYZXRSTSKU-UHFFFAOYSA-N

Molecular Formula

  • C54-H88-O26-S.Na

Molecular Weight

  • 1208.32
 
* 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

Name of Substance

  • Echinoside A

Synonyms

  • (3beta,12alpha)-12,17,20-Trihydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1-3)-O-beta-D-glucopyranosyl-(1-4)-O-6-deoxy-beta-D-glucopyranosyl-(1-2)-4-O-sulfo-beta-D-xylopyranosyl)-oxy)lanost-9(11)-en-18-oic acid gamma-lactone, monosodium salt
  • Echinoside A
  • Holothurin A2

Systematic Name

  • Lanost-9(11)-en-18-oic acid, 12,17,20-trihydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1-3)-O-beta-D-glucopyranosyl-(1-4)-O-6-deoxy-beta-D-glucopyranosyl-(1-2)-4-O-sulfo-beta-D-xylopyranosyl)oxy)-, gamma-lactone, monosodium salt, (3beta,12alpha)-

Registry Numbers

CAS Registry Number

  • 75410-53-6

System Generated Number

  • 0075410536

Molecular Formulas

Molecular Formula

  • C54-H88-O26-S.Na

Molecular Formula Fragments

  • C54-H88-O26-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C54H88O26S.Na/c1-23(2)11-10-15-52(8)53(66)18-17-51(7)25-12-13-30-49(4,5)32(14-16-50(30,6)26(25)19-31(57)54(51,53)48(65)79-52)75-47-43(35(60)29(22-71-47)80-81(67,68)69)78-44-37(62)36(61)40(24(3)72-44)76-46-39(64)42(34(59)28(21-56)74-46)77-45-38(63)41(70-9)33(58)27(20-55)73-45;/h19,23-25,27-47,55-64,66H,10-18,20-22H2,1-9H3,(H,67,68,69);/q;+1

InChIKey

JEBRMYZXRSTSKU-UHFFFAOYSA-N

Smiles

[Na+].S(=O)(=O)(O[C@@H]1[C@@H]([C@@H]([C@@H](O[C@@H]2CC[C@@]3(C4=C[C@@H]([C@@]56[C@@](O)([C@@](C)(OC6=O)CCCC(C)C)CC[C@@]5([C@@H]4CC[C@@H]3C2(C)C)C)O)C)OC1)O[C@@H]1O[C@@H]([C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@@H]3O)OC)O)CO)[C@@H]([C@@H](O2)CO)O)[C@@H](O)[C@@H]1O)C)O)O