ChemSpider 2D Image | (1R,2R,5R,8R,9S,10S,11R,17S)-17-Hydroxy-11-methyl-6-methylene-12-oxo-13-oxapentacyclo[9.3.3.1~5,8~.0~1,10~.0~2,8~]octadecane-9-carboxylic acid | C20H26O5

(1R,2R,5R,8R,9S,10S,11R,17S)-17-Hydroxy-11-methyl-6-methylene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid

  • Molecular FormulaC20H26O5
  • Average mass346.417 Da
  • Monoisotopic mass346.178009 Da
  • ChemSpider ID25016347

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2R,5R,8R,9S,10S,11R,17S)-17-Hydroxy-11-methyl-6-methylen-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecan-9-carbonsäure [German] [ACD/IUPAC Name]
(1R,2R,5R,8R,9S,10S,11R,17S)-17-Hydroxy-11-methyl-6-methylene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid [ACD/IUPAC Name]
5a,8-Methano-4,10b-propano-1H-azuleno[1,2-c]pyran-5-carboxylic acid, decahydro-13-hydroxy-4-methyl-7-methylene-3-oxo-, (4R,4aS,5S,5aR,8R,10aR,10bR,13S)- [ACD/Index Name]
Acide (1R,2R,5R,8R,9S,10S,11R,17S)-17-hydroxy-11-méthyl-6-méthylène-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadécane-9-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 582.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 210.3±23.6 °C
Index of Refraction: 1.607
Molar Refractivity: 88.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 16.30
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 257.7±5.0 cm3

Click to predict properties on the Chemicalize site


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