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Substance Name: Chloromaloside B
RN: 132998-90-4
InChIKey: UEVGVDDRWSGCOD-UHFFFAOYSA-N

Molecular Formula

  • C57-H94-O29

Molecular Weight

  • 1243.34
 
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Names and Synonyms

Results Name

  • Chloromaloside B

Synonym

  • Chloromaloside B

Systematic Name

  • Furostan-12-one, 26-(beta-D-glucopyranosyloxy)-3-((O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranosyl)oxy)-22-methoxy-, (3beta,5alpha,25S)-

Registry Numbers

CAS Registry Number

  • 132998-90-4

System Generated Number

  • 0132998904

Structure Descriptors

InChI

1S/C57H94O29/c1-21(19-76-50-44(72)40(68)37(65)30(15-58)79-50)8-11-57(75-5)22(2)35-29(86-57)13-27-25-7-6-23-12-24(9-10-55(23,3)26(25)14-34(63)56(27,35)4)78-52-46(74)42(70)47(33(18-61)82-52)83-54-49(85-53-45(73)41(69)38(66)31(16-59)80-53)48(39(67)32(17-60)81-54)84-51-43(71)36(64)28(62)20-77-51/h21-33,35-54,58-62,64-74H,6-20H2,1-5H3

InChIKey

UEVGVDDRWSGCOD-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1OC[C@@H](CC[C@@]1([C@@H](C)[C@@H]2[C@@H](C[C@@H]3[C@@]2(C(C[C@@H]2[C@@H]3CC[C@@H]3[C@@]2(CC[C@@H](C3)O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@@H](O[C@@H]4[C@@H]([C@@H]([C@@H](CO4)O)O)O)[C@@H]3O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)CO)[C@@H](O)[C@@H]2O)C)=O)C)O1)OC)C)O)O)O)CO