ChemSpider 2D Image | 3-Acetoxy-14-(2,4-dihydroxy-5-oxo-2,5-dihydro-3-furanyl)-1-hydroxy-15-{[(2R,5S,6S)-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-8,13-dimethylpodocarp-12-en-16-yl 5-methyl-1H-pyrrole-2-carboxylate | C38H53NO12

3-Acetoxy-14-(2,4-dihydroxy-5-oxo-2,5-dihydro-3-furanyl)-1-hydroxy-15-{[(2R,5S,6S)-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-8,13-dimethylpodocarp-12-en-16-yl 5-methyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC38H53NO12
  • Average mass715.827 Da
  • Monoisotopic mass715.356750 Da
  • ChemSpider ID28288564

  • defined stereocentres - 3 of 12 defined stereocentres

More details:

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1H-Pyrrole-2-carboxylic acid, 5-methyl-, [2-(acetyloxy)-8-(2,5-dihydro-2,4-dihydroxy-5-oxo-3-furanyl)-1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydro-4-hydroxy-4a,7,8a-trimethyl-1-[[[(2R,5S,6S)-tetrahydro-5 -methoxy-6-methyl-2H-pyran-2-yl]oxy]methyl]-1-phenanthrenyl]methyl ester [ACD/Index Name]
3-Acetoxy-14-(2,4-dihydroxy-5-oxo-2,5-dihydro-3-furanyl)-1-hydroxy-15-{[(2R,5S,6S)-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-8,13-dimethylpodocarp-12-en-16-yl 5-methyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
3-Acetoxy-14-(2,4-dihydroxy-5-oxo-2,5-dihydro-3-furanyl)-1-hydroxy-15-{[(2R,5S,6S)-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-8,13-dimethylpodocarp-12-en-16-yl-5-methyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
5-Méthyl-1H-pyrrole-2-carboxylate de 3-acétoxy-14-(2,4-dihydroxy-5-oxo-2,5-dihydro-3-furanyl)-1-hydroxy-15-{[(2R,5S,6S)-5-méthoxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-8,13-diméthylpodocarp-12-én-16-y le [French] [ACD/IUPAC Name]
phenalinolactone A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 846.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.0±3.0 kJ/mol
Flash Point: 465.9±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 182.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 190.93
ACD/KOC (pH 5.5): 1493.43
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 181.86
ACD/KOC (pH 7.4): 1422.46
Polar Surface Area: 183 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 537.8±5.0 cm3

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