ChemSpider 2D Image | (2alpha)-12-Methoxy-1,11,16-trioxopicras-12-en-2-yl acetate | C23H30O7

(2α)-12-Methoxy-1,11,16-trioxopicras-12-en-2-yl acetate

  • Molecular FormulaC23H30O7
  • Average mass418.480 Da
  • Monoisotopic mass418.199158 Da
  • ChemSpider ID28424573

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2α)-12-Methoxy-1,11,16-trioxopicras-12-en-2-yl acetate [ACD/IUPAC Name]
(2α)-12-Methoxy-1,11,16-trioxopicras-12-en-2-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2α)-12-méthoxy-1,11,16-trioxopicras-12-én-2-yle [French] [ACD/IUPAC Name]
Picras-12-ene-1,11,16-trione, 2-(acetyloxy)-12-methoxy-, (2α)- [ACD/Index Name]
[(1S,2S,4S,6R,7S,9R,13R,17S)-15-methoxy-2,6,14,17-tetramethyl-3,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-14-en-4-yl] acetate
30315-04-9 [RN]
Picrasin B acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 582.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 252.1±30.2 °C
Index of Refraction: 1.543
Molar Refractivity: 105.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.33
ACD/KOC (pH 5.5): 566.98
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.33
ACD/KOC (pH 7.4): 566.98
Polar Surface Area: 96 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 334.2±5.0 cm3

Click to predict properties on the Chemicalize site


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