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Substance Name: Cucumarioside
RN: 74434-21-2
InChIKey: YWZXFPFTUVPZAG-CIFPWLDHSA-N

Note

  • From Cucumaria (sea cucumbers).

Classification Code

  • Natural Product

Molecular Formula

  • Unspecified

Molecular Weight

  • 1320.4028
 
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Names and Synonyms

Name of Substance

  • Cucumarioside

Synonym

  • Cucumarioside

Systematic Name

  • Cucumarioside

Registry Numbers

CAS Registry Number

  • 74434-21-2

System Generated Number

  • 0074434212

Structure Descriptors

InChI

1S/C59H92O29S.Na/c1-24(2)10-9-15-58(7)50-29(62)18-28-26-11-12-35-56(4,5)36(14-16-57(35,6)27(26)13-17-59(28,50)55(72)87-58)83-53-48(41(68)34(23-79-53)88-89(73,74)75)86-54-49(85-51-42(69)37(64)30(63)21-78-51)43(70)45(25(3)80-54)84-52-44(71)47(39(66)32(20-61)82-52)77-22-33-40(67)46(76-8)38(65)31(19-60)81-33;/h11,25,27-28,30-54,60-61,63-71H,1,9-10,12-23H2,2-8H3,(H,73,74,75);/q;+1/t25?,27?,28?,30-,31-,32-,33+,34-,35?,36?,37+,38-,39-,40+,41+,42-,43?,44-,45-,46+,47+,48-,49-,50?,51+,52+,53?,54+,57?,58?,59?;/m1./s1

InChIKey

YWZXFPFTUVPZAG-CIFPWLDHSA-N

Smiles

CC1[C@H](C([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](COC2OC3CCC4(C5CCC67C(C5=CCC4C3(C)C)CC(=O)C6C(OC7=O)(C)CCCC(=C)C)C)OS(=O)(=O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)OC[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC)O)O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 25mg/kg (25mg/kg)   Farmakologiya i Toksikologiya Vol. 54(1), Pg. 60, 1991.