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Substance Name: Cerberin
RN: 25633-33-4
UNII: KW5A155S64
InChIKey: UYQMTWMXBKEHJQ-IVHDSYOHSA-N

Classification Code

  • Natural Product

Molecular Formulas

  • C32-H48-O9
  • C32-H49-O9

Molecular Weight

  • 576.7222
 
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Names and Synonyms

Name of Substance

  • Cerberin

Synonyms

  • 2'-Acetylneriifolin
  • 3-((2-O-Acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxycard-20(22)-endolide (3beta,5beta)-
  • Acetylneriifolin
  • Acetylneriifolin [German]
  • Cerberin
  • Neriifolin-monoacetat
  • Neriifolin-monoacetat [German]
  • Pveneniferin
  • Pveneniferin [German]
  • UNII-KW5A155S64

Systematic Names

  • 3-((4-O-Acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-(3beta,5beta)-card-20(22)-enolide
  • 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-beta-L-glucopyranosyl)oxy)-14-hydroxy-, 4'-acetate
  • Card-20(22)-endolide, 3-((2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 25633-33-4

FDA UNII

  • KW5A155S64

Other Registry Numbers

  • 1401-88-3
  • 25633-34-5

System Generated Number

  • 0025633334

Structure Descriptors

InChI

1S/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24+,26-,27+,28-,29-,30-,31+,32-/m0/s1

InChIKey

UYQMTWMXBKEHJQ-IVHDSYOHSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)OC(=O)C)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 147ug/kg (0.147mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION
Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 167, 1942.
cat LDLo unreported 370ug/kg (0.37mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 135, 1963.