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Substance Name: Swertiamacroside
RN: 128585-97-7
InChIKey: VMCOATNLXZKVSB-JRQIJAMCSA-N

Note

  • A caffeic acid disaccharide ester isolated from Swertia macrosperma.

Molecular Weight

  • 488.4392
 
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Names and Synonyms

Name of Substance

  • Swertiamacroside

Synonyms

  • 1-O-Caffeoyl-6-O-alpha-rhamnopyranosyl-beta-glycopyranoside
  • 1-O-Caffeoyl-O-rutinose ester

Systematic Name

  • beta-D-Glucopyranose, 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, 1-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-

Registry Numbers

CAS Registry Number

  • 128585-97-7

System Generated Number

  • 0128585977

Structure Descriptors

InChI

1S/C21H28O13/c1-8-14(25)16(27)18(29)20(32-8)31-7-12-15(26)17(28)19(30)21(33-12)34-13(24)5-3-9-2-4-10(22)11(23)6-9/h2-6,8,12,14-23,25-30H,7H2,1H3/b5-3+/t8-,12+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1

InChIKey

VMCOATNLXZKVSB-JRQIJAMCSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)/C=C/c3ccc(c(c3)O)O)O)O)O)O)O)O