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Substance Name: Olitoriside
RN: 13289-20-8
InChIKey: KQBVSIZPUWODNU-ZJJDAITPSA-N

Note

  • From Adonis mongolica Sim.

Molecular Formula

  • C35-H52-O14

Molecular Weight

  • 696.782
 
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Names and Synonyms

Name of Substance

  • Olitoriside

Synonym

  • EINECS 236-304-7

Systematic Name

  • (3beta,5beta)-3-((2,6-Dideoxy-4 O-beta-D -glucopyranosyl-beta-D -xylo-hexopyranosyl)oxy)-5,14-dihydroxy-1 9-oxocard-20(22)-enolide

Registry Numbers

CAS Registry Number

  • 13289-20-8

System Generated Number

  • 0013289208

Structure Descriptors

InChI

1S/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3/t17-,19+,20-,21+,22-,23+,24-,26+,27-,28+,29-,30+,31+,32-,33+,34+,35+/m1/s1

InChIKey

KQBVSIZPUWODNU-ZJJDAITPSA-N

Smiles

C1([C@H]2CC[C@@]3([C@]2(C)CC[C@@H]2[C@@]4([C@@](CC[C@@H]32)(C[C@H](CC4)O[C@@H]2O[C@H](C)[C@@H]([C@H](C2)O)O[C@H]2[C@@H]([C@@H](O)[C@@H]([C@H](O2)CO)O)O)O)C=O)O)=CC(OC1)=O