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Substance Name: Specioside
RN: 72514-90-0
InChIKey: SKNVKBJSSSJNCI-UIBFFPKISA-N

Note

  • Has both analgesic and antidyspeptic activities.

Molecular Formula

  • C24-H28-O12

Molecular Weight

  • 508.4732
 
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Names and Synonyms

Results Name

  • Specioside

Synonyms

  • 6-O-(p-Coumaroyl)catalpol
  • Specioside

Systematic Name

  • beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-(((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl

Registry Numbers

CAS Registry Number

  • 72514-90-0

System Generated Number

  • 0072514900

Structure Descriptors

InChI

1S/C24H28O12/c25-9-14-17(29)18(30)19(31)23(33-14)35-22-16-13(7-8-32-22)20(21-24(16,10-26)36-21)34-15(28)6-3-11-1-4-12(27)5-2-11/h1-8,13-14,16-23,25-27,29-31H,9-10H2/b6-3+/t13-,14-,16-,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1

InChIKey

SKNVKBJSSSJNCI-UIBFFPKISA-N

Smiles

OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)\C=C\c4ccc(O)cc4)[C@@H]5O[C@]5(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O