ChemSpider 2D Image | cerberin | C32H48O9

cerberin

  • Molecular FormulaC32H48O9
  • Average mass576.718 Da
  • Monoisotopic mass576.329834 Da
  • ChemSpider ID8206634
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






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

(3b,5b)-3-((2-O-Acetyl-6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy)-14-hydroxycard-20(22)-endolide
(3β,5β)-3-[(2-O-Acetyl-6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-[(2-O-Acetyl-6-desoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-[(2-O-Acétyl-6-désoxy-3-O-méthyl-α-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
25633-33-4 [RN]
2'-Acetylneriifolin
Acetylneriifolin [German]
Card-20(22)-enolide, 3-[(2-O-acetyl-6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxy-, (3β,5β)- [ACD/Index Name]
cerberin [Wiki]
Monoacetylneriifolin
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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: 3.96
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.98
ACD/KOC (pH 5.5): 720.72
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.98
ACD/KOC (pH 7.4): 720.71
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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