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Substance Name: Diuranthoside B
RN: 132998-87-9
InChIKey: SAMJPYPAOFPHIX-UHFFFAOYSA-N

Molecular Formula

  • C56-H90-O28

Molecular Weight

  • 1211.3
 
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Names and Synonyms

Results Name

  • Diuranthoside B

Synonym

  • Diuranthoside B

Systematic Name

  • Spirostan-12-one, 3-((O-beta-D-glucopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-3)-beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranosyl)oxy)-, (3beta,5alpha,25S)-

Registry Numbers

CAS Registry Number

  • 132998-87-9

System Generated Number

  • 0132998879

Structure Descriptors

InChI

1S/C56H90O28/c1-20-7-10-56(74-18-20)21(2)34-28(84-56)12-26-24-6-5-22-11-23(8-9-54(22,3)25(24)13-33(62)55(26,34)4)75-50-43(71)40(68)46(32(17-60)79-50)81-53-48(83-52-42(70)39(67)36(64)30(15-58)77-52)47(37(65)31(16-59)78-53)82-49-44(72)45(27(61)19-73-49)80-51-41(69)38(66)35(63)29(14-57)76-51/h20-32,34-53,57-61,63-72H,5-19H2,1-4H3

InChIKey

SAMJPYPAOFPHIX-UHFFFAOYSA-N

Smiles

O1[C@@]2(O[C@@H]3C[C@@H]4[C@@]([C@@H]3[C@@H]2C)(C(C[C@@H]2[C@@H]4CC[C@@H]3[C@@]2(CC[C@@H](C3)O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O[C@@H]4[C@@H]([C@@H]([C@@H](CO4)O)O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O4)CO)O)[C@@H]3O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)C)=O)C)CC[C@@H](C)C1