Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Catalposide
RN: 6736-85-2
UNII: 7KD7K3964H
InChIKey: UXSACQOOWZMGSE-RWORTQBESA-N

Molecular Formula

  • C22-H26-O12

Molecular Weight

  • 482.435
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Catalposide

Synonyms

  • Catalposide
  • EINECS 229-789-1
  • Hydroxybenzoyl catalpol
  • UNII-7KD7K3964H

Systematic Names

  • 1a(S)alpha,1bbeta,2beta,5abeta,6beta,6aalpha-Hexahydro-6-((4-hydroxybenzoyl)oxy)-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-((4-hydroxybenzoyl)oxy)-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))-

Registry Numbers

CAS Registry Number

  • 6736-85-2

FDA UNII

  • 7KD7K3964H

System Generated Number

  • 0006736852

Structure Descriptors

InChI

1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1

InChIKey

UXSACQOOWZMGSE-RWORTQBESA-N

Smiles

O([C@H]1[C@@H]2[C@]3(O[C@H]3[C@H]([C@@H]2C=CO1)OC(=O)c1ccc(cc1)O)CO)[C@H]1[C@H](O)[C@H]([C@@H]([C@H](O1)CO)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 1gm/kg (1000mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64, Pg. 93, 1968.
mouse LD oral > 5gm/kg (5000mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64, Pg. 93, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.730 (none)   EST
Water Solubility 5400 mg/L 15 EXP
Atmospheric OH Rate Constant 1.79E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.