ChemSpider 2D Image | (7alpha,11alpha,12alpha,13alpha)-2,7-Diacetoxy-8,13-dihydroxy-13-methyl-3,14-dioxo-12-vinylpodocarp-1-en-11-yl benzoate | C31H36O10

(7α,11α,12α,13α)-2,7-Diacetoxy-8,13-dihydroxy-13-methyl-3,14-dioxo-12-vinylpodocarp-1-en-11-yl benzoate

  • Molecular FormulaC31H36O10
  • Average mass568.612 Da
  • Monoisotopic mass568.230835 Da
  • ChemSpider ID9630715

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(7α,11α,12α,13α)-2,7-Diacetoxy-8,13-dihydroxy-13-methyl-3,14-dioxo-12-vinylpodocarp-1-en-11-yl benzoate [ACD/IUPAC Name]
(7α,11α,12α,13α)-2,7-Diacetoxy-8,13-dihydroxy-13-methyl-3,14-dioxo-12-vinylpodocarp-1-en-11-yl-benzoat [German] [ACD/IUPAC Name]
1,7(2H,4bH)-Phenanthrenedione, 6,10-bis(acetyloxy)-4-(benzoyloxy)-3-ethenyl-3,4,4a,8,8a,9,10,10a-octahydro-2,10a-dihydroxy-2,4b,8,8-tetramethyl-, (2S,3S,4R,4aS,4bR,8aR,10R,10aR)- [ACD/Index Name]
Benzoate de (7α,11α,12α,13α)-2,7-diacétoxy-8,13-dihydroxy-13-méthyl-3,14-dioxo-12-vinylpodocarp-1-én-11-yle [French] [ACD/IUPAC Name]
(7α,11α,12α,13α)-2,7-bis(acetyloxy)-12-ethenyl-8,13-dihydroxy-13-methyl-3,14-dioxopodocarp-1-en-11-yl benzoate
staminol D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 674.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 212.9±25.0 °C
Index of Refraction: 1.587
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 621.84
ACD/KOC (pH 5.5): 3477.90
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 621.43
ACD/KOC (pH 7.4): 3475.62
Polar Surface Area: 154 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 430.4±5.0 cm3

Click to predict properties on the Chemicalize site


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