Found 1 result

Search term: 58170459 (Found by CSID)
ChemSpider 2D Image | Methyl 3-[(1S,5S,6R,7S,9R,10R,12R)-12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1~7,10~.0~1,6~]tridec-2-en-5-yl]propanoate | C18H24O5

Methyl 3-[(1S,5S,6R,7S,9R,10R,12R)-12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoate

  • Molecular FormulaC18H24O5
  • Average mass320.380 Da
  • Monoisotopic mass320.162384 Da
  • ChemSpider ID58170459

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

3-[(1S,5S,6R,7S,9R,10R,12R)-12-Hydroxy-5,9-diméthyl-4-oxo-8-oxatétracyclo[7.2.1.17,10.01,6]tridéc-2-én-5-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
3H-1,4:3,5a-Dimethano-2-benzoxepin-9-propanoic acid, 1,4,5,8,9,9a-hexahydro-10-hydroxy-3,9-dimethyl-8-oxo-, methyl ester, (1S,3R,4R,5aS,9S,9aR,10R)- [ACD/Index Name]
Methyl 3-[(1S,5S,6R,7S,9R,10R,12R)-12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoate [ACD/IUPAC Name]
Methyl-3-[(1S,5S,6R,7S,9R,10R,12R)-12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoat [German] [ACD/IUPAC Name]
14-hydroxyplatensic acid methyl ester
methyl 3-[(1S,4aS,5R,6R,7S,9S,9aR)-5-hydroxy-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 464.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.6±6.0 kJ/mol
Flash Point: 165.7±22.2 °C
Index of Refraction: 1.571
Molar Refractivity: 82.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.45
ACD/KOC (pH 5.5): 84.53
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.45
ACD/KOC (pH 7.4): 84.53
Polar Surface Area: 73 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 250.4±5.0 cm3

Click to predict properties on the Chemicalize site


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