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Substance Name: Evomonoside
RN: 508-93-0
InChIKey: YKTXELZNGPYDJO-GHWIGFALSA-N

Note

  • A cytotoxic cardiac glycoside from Lepidium apetalum.

Molecular Formula

  • C29-H44-O8

Molecular Weight

  • 534.6854
 
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Names and Synonyms

Name of Substance

  • Evomonoside

Synonyms

  • Digitoxigenin 3-rhamnoside
  • Digitoxigenin 3beta-O-alpha-L-rhamnopyranside
  • Digitoxigenin alpha-L-rhamnoside
  • Digitoxigenin rhamnoside
  • EINECS 208-088-4
  • Evomonosid
  • Evomonosid [German]
  • Evomonoside

Systematic Names

  • (3beta,5beta)-3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
  • 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-alpha-L-mannopyranosyl)oxy)-14-beta-hydroxy-

Registry Numbers

CAS Registry Number

  • 508-93-0

Other Registry Number

  • 1367-89-1

System Generated Number

  • 0000508930

Structure Descriptors

InChI

1S/C30H46O8/c1-16-24(32)25(33)26(34)29(4,37-16)38-19-7-10-27(2)18(14-19)5-6-22-21(27)8-11-28(3)20(9-12-30(22,28)35)17-13-23(31)36-15-17/h13,16,18-22,24-26,32-35H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25+,26+,27-,28+,29-,30-/m0/s1

InChIKey

YKTXELZNGPYDJO-GHWIGFALSA-N

Smiles

C[C@@H]1O[C@@](C)(O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)[C@H](O)[C@H](O)[C@H]1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 278ug/kg (0.278mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 103, Pg. 420, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.1 (none)   EXP
Water Solubility 8.490 mg/L 25 EST
Vapor Pressure 6.54E-20 mm Hg 25 EST
Henry's Law Constant 8.38E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.38E-10 cm3/molecule-sec 25 EST

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