Found 3 results

Search term: WWKLZOFMEXWTLT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (1R,4R,6R,8S,9R,10R,13S)-8-hydroxy-6-isopropyl-9,13-dimethyl-5-oxo-15-oxatetracyclo[6.6.1.0~1,10~.0~4,9~]pentadec-2-ene-3-carboxylate | C21H30O5

Methyl (1R,4R,6R,8S,9R,10R,13S)-8-hydroxy-6-isopropyl-9,13-dimethyl-5-oxo-15-oxatetracyclo[6.6.1.01,10.04,9]pentadec-2-ene-3-carboxylate

  • Molecular FormulaC21H30O5
  • Average mass362.460 Da
  • Monoisotopic mass362.209320 Da
  • ChemSpider ID75588132

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,4R,6R,8S,9R,10R,13S)-8-Hydroxy-6-isopropyl-9,13-diméthyl-5-oxo-15-oxatétracyclo[6.6.1.01,10.04,9]pentadéc-2-ène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-4,8a-Epoxyphenanthrene-10-carboxylic acid, 1,3,4,4a,4b,5,6,7,8,10a-decahydro-4-hydroxy-4a,7-dimethyl-2-(1-methylethyl)-1-oxo-, methyl ester, (2R,4S,4aR,4bR,7S,8aR,10aR)- [ACD/Index Name]
Methyl (1R,4R,6R,8S,9R,10R,13S)-8-hydroxy-6-isopropyl-9,13-dimethyl-5-oxo-15-oxatetracyclo[6.6.1.01,10.04,9]pentadec-2-ene-3-carboxylate [ACD/IUPAC Name]
Methyl-(1R,4R,6R,8S,9R,10R,13S)-8-hydroxy-6-isopropyl-9,13-dimethyl-5-oxo-15-oxatetracyclo[6.6.1.01,10.04,9]pentadec-2-en-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 483.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.3±6.0 kJ/mol
Flash Point: 164.3±22.2 °C
Index of Refraction: 1.554
Molar Refractivity: 96.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 343.85
ACD/KOC (pH 5.5): 2275.83
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 343.85
ACD/KOC (pH 7.4): 2275.78
Polar Surface Area: 73 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 299.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement