ChemSpider 2D Image | iso-Pyrodelphinine | C32H41NO8

iso-Pyrodelphinine

  • Molecular FormulaC32H41NO8
  • Average mass567.670 Da
  • Monoisotopic mass567.283203 Da
  • ChemSpider ID10236510

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(1α,6α,14α)-8-Acetoxy-13-hydroxy-1,6-dimethoxy-4-(methoxymethyl)-20-methylaconit-15-en-14-yl benzoate [ACD/IUPAC Name]
(1α,6α,14α)-8-Acetoxy-13-hydroxy-1,6-dimethoxy-4-(methoxymethyl)-20-methylaconit-15-en-14-yl-benzoat [German] [ACD/IUPAC Name]
Aconit-15-ene-8,13,14-triol, 1,6-dimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1α,6α,14α)- [ACD/Index Name]
Benzoate de (1α,6α,14α)-8-acétoxy-13-hydroxy-1,6-diméthoxy-4-(méthoxyméthyl)-20-méthylaconit-15-én-14-yle [French] [ACD/IUPAC Name]
iso-Pyrodelphinine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 632.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 336.1±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 149.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 7.02
ACD/KOC (pH 5.5): 77.93
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.26
ACD/KOC (pH 7.4): 568.96
Polar Surface Area: 104 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 427.4±5.0 cm3

Click to predict properties on the Chemicalize site


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