ChemSpider 2D Image | [(2,2-Dimethylpropanoyl)oxy]methyl (3beta,13alpha,14beta)-3-acetoxy-14-(3-{[(2,2-dimethylpropanoyl)oxy]methoxy}-3-oxopropyl)-8,14-dimethylpodocarpane-13-carboxylate | C37H60O10

[(2,2-Dimethylpropanoyl)oxy]methyl (3β,13α,14β)-3-acetoxy-14-(3-{[(2,2-dimethylpropanoyl)oxy]methoxy}-3-oxopropyl)-8,14-dimethylpodocarpane-13-carboxylate

  • Molecular FormulaC37H60O10
  • Average mass664.866 Da
  • Monoisotopic mass664.418640 Da
  • ChemSpider ID9483327

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,13α,14β)-3-Acétoxy-14-(3-{[(2,2-diméthylpropanoyl)oxy]méthoxy}-3-oxopropyl)-8,14-diméthylpodocarpane-13-carboxylate de [(2,2-diméthylpropanoyl)oxy]méthyle [French] [ACD/IUPAC Name]
[(2,2-dimethylpropanoyl)oxy]methyl (3β,13α,14β)-3-(acetyloxy)-14-(3-{[(2,2-dimethylpropanoyl)oxy]methoxy}-3-oxopropyl)-8,14-dimethylpodocarpane-13-carboxylate
[(2,2-Dimethylpropanoyl)oxy]methyl (3β,13α,14β)-3-acetoxy-14-(3-{[(2,2-dimethylpropanoyl)oxy]methoxy}-3-oxopropyl)-8,14-dimethylpodocarpane-13-carboxylate [ACD/IUPAC Name]
[(2,2-Dimethylpropanoyl)oxy]methyl-(3β,13α,14β)-3-acetoxy-14-(3-{[(2,2-dimethylpropanoyl)oxy]methoxy}-3-oxopropyl)-8,14-dimethylpodocarpan-13-carboxylat [German] [ACD/IUPAC Name]
1-Phenanthrenepropanoic acid, 7-(acetyloxy)-2-[[(2,2-dimethyl-1-oxopropoxy)methoxy]carbonyl]tetradecahydro-1,4b,8,8,10a-pentamethyl-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (1R,2S,4aR,4bR,7S,8aR,10a R)- [ACD/Index Name]
1-phenanthrenepropanoic acid, 7-(acetyloxy)-2-[[(2,2-dimethyl-1-oxopropoxy)methoxy]carbonyl]tetradecahydro-1,4b,8,8,10a-pentamethyl-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (1R,2S,4aR,4bR,7S,8aR,10aR)-
(1R,2S,4aR,4bR,7S,8aR,10aR)-7-Acetoxy-1-[2-(2,2-dimethyl-propionyloxymethoxycarbonyl)-ethyl]-1,4b,8,8,10a-pentamethyl-tetradecahydro-phenanthrene-2-carboxylic acid 2,2-dimethyl-propionyloxymethyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 642.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 257.5±31.5 °C
Index of Refraction: 1.506
Molar Refractivity: 176.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 8.28
ACD/LogD (pH 5.5): 8.05
ACD/BCF (pH 5.5): 777491.38
ACD/KOC (pH 5.5): 572967.00
ACD/LogD (pH 7.4): 8.05
ACD/BCF (pH 7.4): 777491.38
ACD/KOC (pH 7.4): 572967.00
Polar Surface Area: 132 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 594.0±5.0 cm3

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