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Substance Name: Catalpol
RN: 2415-24-9
InChIKey: LHDWRKICQLTVDL-PZYDOOQISA-N

Note

  • Component of dihuang.

Molecular Formula

  • C15-H22-O10

Molecular Weight

  • 362.329
 
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Names and Synonyms

Name of Substance

  • Catalpol

Synonyms

  • Catalpinoside
  • Catalpol
  • Catalposide, des-p-hydroxybenzoyl-
  • De(p-hydroxybenzoyl)catalposide
  • EINECS 219-324-0

Systematic Names

  • (1AS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl-beta-D-glucopyranoside
  • beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy- 1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1a-alpha,1b-beta,2-beta,5a-beta,6-beta,6a-alpha))-
  • beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-

Registry Numbers

CAS Registry Number

  • 2415-24-9

System Generated Number

  • 0002415249

Structure Descriptors

InChI

1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1

InChIKey

LHDWRKICQLTVDL-PZYDOOQISA-N

Smiles

O1[C@H]2[C@@H](O)[C@H]3[C@@H]([C@@]12CO)[C@H](O[C@H]1[C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC=C3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 2500mg/kg (2500mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64, Pg. 93, 1968.
mouse LD oral > 10gm/kg (10000mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64, Pg. 93, 1968.