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ChemSpider 2D Image | Oleandrin | C32H48O9

Oleandrin

  • Molecular FormulaC32H48O9
  • Average mass576.718 Da
  • Monoisotopic mass576.329834 Da
  • ChemSpider ID9716290
  • defined stereocentres - 13 of 13 defined stereocentres


More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Oleandrin
(3b,5b,16b)-16-(Acetyloxy)-3-[(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
(3β,5β,16β)-16-(acetyloxy)-3-[(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
(3β,5β,16β)-16-Acetoxy-3-[(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,16β)-16-Acetoxy-3-[(2,6-didesoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,16β)-16-Acétoxy-3-[(2,6-didésoxy-3-O-méthyl-α-L-arabino-hexopyranosyl)oxy]-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
207-361-5 [EINECS]
465-16-7 [RN]
5β,20(22)-Cardenolide-3β,14,16β-triol-3-([2,6-dideoxy-3-O-methyl-α-L-arabinohexopyranosyl]oxy) 16-acetate
Card-20(22)-enolide, 16-(acetyloxy)-3-((2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy)-14-hydroxy-, (3β,5β,16β)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:59030 [DBID]
  • Miscellaneous
    • Chemical Class:

      A steroid saponin that consists of oleandrigenin having a 2,6-dideoxy-3-<element>O</element>-methyl-<stereo>alpha</stereo>-<stereo>L</stereo>-<stereo>arabino</stereo>-hexopyranosyl residue attached to the oxygen function at position 3. ChEBI CHEBI:59030
      A steroid saponin that consists of oleandrigenin having a 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl residue attached to; the oxygen function at position 3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:59030
    • Bio Activity:

      NF-KB; Wnt/Hedgehog/Notch; MedChem Express HY-13719

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 693.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.2±6.0 kJ/mol
Flash Point: 217.2±25.0 °C
Index of Refraction: 1.567
Molar Refractivity: 149.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.48
ACD/KOC (pH 5.5): 483.38
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.48
ACD/KOC (pH 7.4): 483.38
Polar Surface Area: 121 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 457.2±5.0 cm3

Click to predict properties on the Chemicalize site






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