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Substance Name: Frondoside A
RN: 127367-76-4
InChIKey: JVAXTYZSDXFKMH-UHFFFAOYSA-M

Note

  • From the North Atlantic commercially harvested sea cucumber Cucumaria frondosa.

Molecular Formula

  • C60-H96-O29-S.Na

Molecular Weight

  • 1335.44
 
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Names and Synonyms

Results Name

  • Frondoside A

Synonym

  • Frondoside A

Systematic Name

  • Lanost-7-en-18-oic acid, 16-(acetyloxy)-20-hydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1-3)-O-beta-D-xylopyranosyl-(1-4)-O-(beta-D-xylopyranosyl-(1-2))-O-6-deoxy-beta-D-glucopyranosyl-(1-2)-4-O-sulfo-beta-D-xylopyranosyl)oxy)-, gamma-lactone, monosodium salt, (3beta,9beta,16beta)-

Registry Numbers

CAS Registry Number

  • 127367-76-4

System Generated Number

  • 0127367764

Molecular Formulas

Molecular Formula

  • C60-H96-O29-S.Na

Molecular Formula Fragments

  • C60-H96-O29-S.Na
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C60H96O29S.Na/c1-25(2)12-11-17-59(9)49-32(81-27(4)62)20-58(8)29-13-14-35-56(5,6)36(16-18-57(35,7)28(29)15-19-60(49,58)55(72)88-59)83-53-47(39(67)34(24-79-53)89-90(73,74)75)87-54-48(86-50-40(68)37(65)30(63)22-77-50)41(69)44(26(3)80-54)84-51-42(70)45(31(64)23-78-51)85-52-43(71)46(76-10)38(66)33(21-61)82-52;/h13,25-26,28,30-54,61,63-71H,11-12,14-24H2,1-10H3,(H,73,74,75);/q;+1/p-1

InChIKey

JVAXTYZSDXFKMH-UHFFFAOYSA-M

Smiles

C1[C@@]2(C=3[C@@H](CC[C@@]42[C@@H]([C@@](C)(CCCC(C)C)OC4=O)[C@@H]1OC(C)=O)[C@@]1(CC[C@@H](C([C@@H]1CC3)(C)C)O[C@@H]1OC[C@@H](OS([O-])(=O)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)OC)O)O)[C@@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O)C)C)C.[Na+]