ChemSpider 2D Image | (1R,2S,3R,4R,7R,8R,11S,14R)-3-(2-Acetoxy-2-propanyl)-6,14-dimethyl-10-methylene-15-oxatricyclo[6.6.1.0~2,7~]pentadec-5-ene-4,11,14-triyl triacetate | C28H40O9

(1R,2S,3R,4R,7R,8R,11S,14R)-3-(2-Acetoxy-2-propanyl)-6,14-dimethyl-10-methylene-15-oxatricyclo[6.6.1.02,7]pentadec-5-ene-4,11,14-triyl triacetate

  • Molecular FormulaC28H40O9
  • Average mass520.612 Da
  • Monoisotopic mass520.267212 Da
  • ChemSpider ID9845586

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2S,3R,4R,7R,8R,11S,14R)-3-(2-Acetoxy-2-propanyl)-6,14-dimethyl-10-methylen-15-oxatricyclo[6.6.1.02,7]pentadec-5-en-4,11,14-triyl-triacetat [German] [ACD/IUPAC Name]
(1R,2S,3R,4R,7R,8R,11S,14R)-3-(2-Acetoxy-2-propanyl)-6,14-dimethyl-10-methylene-15-oxatricyclo[6.6.1.02,7]pentadec-5-ene-4,11,14-triyl triacetate [ACD/IUPAC Name]
5,12-Epoxybenzocyclodecene-2,8,11-triol, 1-[1-(acetyloxy)-1-methylethyl]-1,2,4a,5,6,7,8,9,10,11,12,12a-dodecahydro-4,11-dimethyl-7-methylene-, triacetate, (1R,2R,4aR,5R,8S,11R,12R,12aS)- [ACD/Index Name]
Triacétate de (1R,2S,3R,4R,7R,8R,11S,14R)-3-(2-acétoxy-2-propanyl)-6,14-diméthyl-10-méthylène-15-oxatricyclo[6.6.1.02,7]pentadéc-5-ène-4,11,14-triyle [French] [ACD/IUPAC Name]
astrogorgin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 555.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 231.8±30.2 °C
Index of Refraction: 1.518
Molar Refractivity: 133.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2055.67
ACD/KOC (pH 5.5): 8184.83
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2055.67
ACD/KOC (pH 7.4): 8184.83
Polar Surface Area: 114 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 441.3±5.0 cm3

Click to predict properties on the Chemicalize site


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