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Substance Name: Thornasteroside A
RN: 67849-63-2
InChIKey: DCDDBTOBKNHOBZ-UHFFFAOYSA-N

Note

  • From the starfish Culcita novaeguineae.

Molecular Formula

  • C56-H92-O28-S.Na

Molecular Weight

  • 1268.37
 
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Names and Synonyms

Results Name

  • Thornasteroside A

Synonyms

  • Ophidianoside E
  • Thornasteroside A

Systematic Name

  • Cholest-9(11)-en-23-one, 6-((O-6-deoxy-beta-D-galactopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->4)-O-(6-deoxy-beta-D-glucopyranosyl-(1->2))-O-beta-D-xylopyranosyl-(1->3)-6-deoxy-beta-D-glucopyranosyl)oxy)-20-hydroxy-3-(sulfooxy)-, monosodium salt, (3beta,5alpha,6alpha,20xi)-

Registry Numbers

CAS Registry Number

  • 67849-63-2

System Generated Number

  • 0067849632

Molecular Formulas

Molecular Formula

  • C56-H92-O28-S.Na

Molecular Formula Fragments

  • C56-H92-O28-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C56H92O28S.Na/c1-21(2)15-25(58)18-56(8,70)34-10-9-28-27-17-31(30-16-26(84-85(71,72)73)11-13-54(30,6)29(27)12-14-55(28,34)7)78-51-45(69)46(37(61)24(5)77-51)81-52-47(82-49-43(67)40(64)35(59)22(3)75-49)39(63)33(20-74-52)80-53-48(42(66)38(62)32(19-57)79-53)83-50-44(68)41(65)36(60)23(4)76-50;/h12,21-24,26-28,30-53,57,59-70H,9-11,13-20H2,1-8H3,(H,71,72,73);/q;-1

InChIKey

DCDDBTOBKNHOBZ-UHFFFAOYSA-N

Smiles

O1[C@@H](O[C@@H]2[C@@H]([C@@H]([C@@H](O[C@@H]2O[C@@H]2CO[C@@H]([C@@H]([C@@H]2O)O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@@H]2[C@@H]([C@@H](O[C@@H]([C@@H]2O)C)O[C@@H]2[C@@H]3[C@@](C4=CC[C@@]5([C@@H]([C@@H]4C2)CC[C@@H]5[C@@](O)(CC(CC(C)C)=O)C)C)(CC[C@@H](C3)OS(O)(=O)=O)C)O)CO)O)O)[C@@H]([C@@H]([C@@H](O)[C@@H]1C)O)O.[Na-]