ChemSpider 2D Image | dendronpholide H | C24H38O7

dendronpholide H

  • Molecular FormulaC24H38O7
  • Average mass438.554 Da
  • Monoisotopic mass438.261749 Da
  • ChemSpider ID23329147

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

2-[(1R,2S,5S,7R,9R,12R,13S)-2-Acétoxy-12-hydroxy-1,5,12-triméthyl-6,16-dioxatricyclo[11.2.1.05,7]hexadéc-9-yl]acrylate d'éthyle [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-, ethyl ester, (1R,2S,5S,7R,9R,12R,13S)- [ACD/Index Name]
dendronpholide H
Ethyl 2-[(1R,2S,5S,7R,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]
Ethyl-2-[(1R,2S,5S,7R,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]
sinulaflexiolide F
ethyl 2-[(1R,2S,5S,7R,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
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL516614/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 533.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.1±6.0 kJ/mol
Flash Point: 171.8±23.6 °C
Index of Refraction: 1.518
Molar Refractivity: 115.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 202.30
ACD/KOC (pH 5.5): 1556.82
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 202.30
ACD/KOC (pH 7.4): 1556.82
Polar Surface Area: 95 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 380.0±5.0 cm3

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