ChemSpider 2D Image | Methyl 2-[(1R,2S,5S,7S,9R,12R,13S)-2-acetoxy-12-hydroxy-1,5,12-trimethyl-6,16-dioxatricyclo[11.2.1.0~5,7~]hexadec-9-yl]acrylate | C23H36O7

Methyl 2-[(1R,2S,5S,7S,9R,12R,13S)-2-acetoxy-12-hydroxy-1,5,12-trimethyl-6,16-dioxatricyclo[11.2.1.05,7]hexadec-9-yl]acrylate

  • Molecular FormulaC23H36O7
  • Average mass424.528 Da
  • Monoisotopic mass424.246094 Da
  • ChemSpider ID23342005

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

2-[(1R,2S,5S,7S,9R,12R,13S)-2-Acétoxy-12-hydroxy-1,5,12-triméthyl-6,16-dioxatricyclo[11.2.1.05,7]hexadéc-9-yl]acrylate de méthyle [French] [ACD/IUPAC Name]
6,16-Dioxatricyclo[11.2.1.05,7]hexadecane-9-acetic acid, 2-(acetyloxy)-12-hydroxy-1,5,12-trimethyl-α-methylene-, methyl ester, (1R,2S,5S,7S,9R,12R,13S)- [ACD/Index Name]
Methyl 2-[(1R,2S,5S,7S,9R,12R,13S)-2-acetoxy-12-hydroxy-1,5,12-trimethyl-6,16-dioxatricyclo[11.2.1.05,7]hexadec-9-yl]acrylate [ACD/IUPAC Name]
Methyl-2-[(1R,2S,5S,7S,9R,12R,13S)-2-acetoxy-12-hydroxy-1,5,12-trimethyl-6,16-dioxatricyclo[11.2.1.05,7]hexadec-9-yl]acrylat [German] [ACD/IUPAC Name]
Dendronpholide G
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL519933/
methyl 2-[(1R,2S,5S,7S,9R,12R,13S)-2-(acetyloxy)-12-hydroxy-1,5,12-trimethyl-6,16-dioxatricyclo[11.2.1.05,7]hexadec-9-yl]prop-2-enoate
Sinulaflexiolide E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 522.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 169.9±23.6 °C
Index of Refraction: 1.520
Molar Refractivity: 110.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.98
ACD/KOC (pH 5.5): 940.03
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.98
ACD/KOC (pH 7.4): 940.03
Polar Surface Area: 95 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 363.9±5.0 cm3

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