ChemSpider 2D Image | 7,8-dehydrocerberin | C32H46O9

7,8-dehydrocerberin

  • Molecular FormulaC32H46O9
  • Average mass574.702 Da
  • Monoisotopic mass574.314209 Da
  • ChemSpider ID8229413

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,5β)-3-[(2-O-Acetyl-6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxycarda-7,20(22)-dienolide [ACD/IUPAC Name]
(3β,5β)-3-[(2-O-Acetyl-6-desoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxycarda-7,20(22)-dienolid [German] [ACD/IUPAC Name]
(3β,5β)-3-[(2-O-Acétyl-6-désoxy-3-O-méthyl-α-L-glucopyranosyl)oxy]-14-hydroxycarda-7,20(22)-diénolide [French] [ACD/IUPAC Name]
7,8-dehydrocerberin
Carda-7,20(22)-dienolide, 3-[(2-O-acetyl-6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxy-, (3β,5β)- [ACD/Index Name]
3β-O-(2'-O-acetyl-α-L-thevetosyl)-14β-hydroxy-7-en-5β-card-20(22)-enolide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 706.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.1±6.0 kJ/mol
Flash Point: 222.6±26.4 °C
Index of Refraction: 1.578
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 173.35
ACD/KOC (pH 5.5): 1393.88
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 173.35
ACD/KOC (pH 7.4): 1393.88
Polar Surface Area: 121 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 449.8±5.0 cm3

Click to predict properties on the Chemicalize site


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