ChemSpider 2D Image | (2S,3R,3aS,6R,6aS,10aR,10bR)-2-ethoxy-3,6,9-trimethyldecahydro-9,10b-epoxyoxepino[4,3,2-ij]isochromene | C17H28O4

(2S,3R,3aS,6R,6aS,10aR,10bR)-2-ethoxy-3,6,9-trimethyldecahydro-9,10b-epoxyoxepino[4,3,2-ij]isochromene

  • Molecular FormulaC17H28O4
  • Average mass296.402 Da
  • Monoisotopic mass296.198761 Da
  • ChemSpider ID23229276

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S,3R,3aS,6R,6aS,10aR,10bR)-2-ethoxy-3,6,9-trimethyldecahydro-9,10b-epoxyoxepino[4,3,2-ij]isochromene
(4S,5R,8S,9R,10S,12R,13R)-10-Ethoxy-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan [German] [ACD/IUPAC Name]
(4S,5R,8S,9R,10S,12R,13R)-10-Ethoxy-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane [ACD/IUPAC Name]
(4S,5R,8S,9R,10S,12R,13R)-10-Éthoxy-1,5,9-triméthyl-11,14,15-trioxatétracyclo[10.2.1.04,13.08,13]pentadécane [French] [ACD/IUPAC Name]
10aH-9,10b-Epoxypyrano[4,3,2-jk][2]benzoxepin, 2-ethoxydecahydro-3,6,9-trimethyl-, (2S,3R,3aS,6R,6aS,10aR,10bR)- [ACD/Index Name]
10-ethoxy-1,5,9-trimethyl-(1S,4S,5R,8S,9R,10S,12R,13R)-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane
112297-79-7 [RN]
Deoxy Arteether
Deoxyarteether
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL345119/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 366.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.9±3.0 kJ/mol
Flash Point: 106.6±34.7 °C
Index of Refraction: 1.517
Molar Refractivity: 79.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 401.51
ACD/KOC (pH 5.5): 2542.92
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 401.51
ACD/KOC (pH 7.4): 2542.92
Polar Surface Area: 37 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 38.6±5.0 dyne/cm
Molar Volume: 262.7±5.0 cm3

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