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Substance Name: Dipsacus saponin B
RN: 152406-42-3
InChIKey: XFQHPZLNJGZIIH-DELHDUSRSA-N

Note

  • Isolated from the roots of Dipsacus asper.

Molecular Formula

  • C59-H96-O26

Molecular Weight

  • 1221.3814
 
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Names and Synonyms

Name of Substance

  • Dipsacus saponin B

Synonyms

  • (3beta,4alpha)-3-((O-6-Deoxy-alpha-L-mannopyranosyl-(1-6)-O-(beta-D-glucopyranosyl-(1-4))-O-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-(1-6)-O-(beta-D-glucopyranosyl-(1-4))-O-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-glucopyranosyl-1-4-(rhamnopyranosyl-1-6)-glucopyranosyl-1-3-rhamnopyranosyl-1-2-arabinopyranoside

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 152406-42-3

System Generated Number

  • 0152406423

Structure Descriptors

InChI

1S/C59H96O26/c1-24-34(63)38(67)42(71)48(77-24)84-46-41(70)35(64)25(2)78-52(46)85-47-45(83-50-44(73)40(69)37(66)29(21-61)80-50)30(81-49-43(72)39(68)36(65)28(20-60)79-49)22-76-51(47)82-33-12-13-55(5)31(56(33,6)23-62)11-14-58(8)32(55)10-9-26-27-19-54(3,4)15-17-59(27,53(74)75)18-16-57(26,58)7/h9,24-25,27-52,60-73H,10-23H2,1-8H3,(H,74,75)/t24-,25-,27+,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-,55-,56?,57+,58+,59-/m0/s1

InChIKey

XFQHPZLNJGZIIH-DELHDUSRSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2O[C@@H]3[C@H]([C@H](CO[C@H]3O[C@H]4CC[C@@]5([C@H]6CC=C7[C@H]8CC(CC[C@@]8(CC[C@]7([C@@]6(CCC5C4(C)CO)C)C)C(=O)O)(C)C)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)O)O)O)O)O