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Substance Name: Dipsacus saponin C
RN: 152406-43-4
InChIKey: DZWAZSYNHVCJRX-CZMUHZJFSA-N

Note

  • Isolated from the roots of Dipsacus asper.

Molecular Formula

  • C64-H104-O30

Molecular Weight

  • 1353.4956
 
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Names and Synonyms

Name of Substance

  • Dipsacus saponin C

Synonyms

  • (3beta,4alpha)-3-((O-6-Deoxy-alpha-L-mannopyranosyl-(1-4)-O-(O-beta-D-xylopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-3))-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxyolean-12-en-28-oic acid
  • 3-((O-6-Deoxy-alpha-L-mannopyranosyl-(1-4)-O-(O-beta-D-xylopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-3))-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxyolean-12-en-28-oic acid (3beta,4alpha)-
  • 3-((O-6-Deoxy-alpha-L-mannopyranosyl-(1-4)-O-(O-beta-D-xylopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-3))-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxyolean-12-en-28-oic acid (3beta,4alpha)-
  • Hederagenin-3-O-xylopyranosyl-1-4-glucopyranosyl-1-4-glucopyranosyl-1-3-(rhamnopyranosyl-1-4)-rhamnopyranosyl-1-2-arabinopyranoside

Systematic Names

  • Olean-12-en-28-oic acid, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-(O-beta-D-xylopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-3))-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-, (3beta,4alpha)-
  • Olean-12-en-28-oic acid, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-(O-beta-D-xylopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-3))-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-, (3beta,4alpha)-

Registry Numbers

CAS Registry Number

  • 152406-43-4

System Generated Number

  • 0152406434

Structure Descriptors

InChI

1S/C64H104O30/c1-25-36(69)41(74)45(78)53(85-25)89-32-23-84-56(90-35-12-13-60(5)33(61(35,6)24-67)11-14-63(8)34(60)10-9-27-28-19-59(3,4)15-17-64(28,58(81)82)18-16-62(27,63)7)50(93-54-46(79)42(75)37(70)26(2)86-54)48(32)91-57-51(94-55-47(80)43(76)39(72)30(20-65)87-55)49(40(73)31(21-66)88-57)92-52-44(77)38(71)29(68)22-83-52/h9,25-26,28-57,65-80H,10-24H2,1-8H3,(H,81,82)/t25-,26-,28+,29+,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-,55-,56-,57-,60-,61?,62+,63+,64-/m0/s1

InChIKey

DZWAZSYNHVCJRX-CZMUHZJFSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CO[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O[C@H]7CC[C@@]8([C@H]9CC=C1[C@H]2CC(CC[C@@]2(CC[C@]1([C@@]9(CCC8C7(C)CO)C)C)C(=O)O)(C)C)C)O)O)O