Found 2 results

Search term: LPMALGWBSPOACL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (1R,3S,6R,7R,10S,11R,12R)-11-hydroxy-10-isopropyl-3,7-dimethyl-8-oxo-15-oxatetracyclo[9.3.1.0~1,6~.0~7,12~]pentadec-13-ene-13-carboxylate | C21H30O5

Methyl (1R,3S,6R,7R,10S,11R,12R)-11-hydroxy-10-isopropyl-3,7-dimethyl-8-oxo-15-oxatetracyclo[9.3.1.01,6.07,12]pentadec-13-ene-13-carboxylate

  • Molecular FormulaC21H30O5
  • Average mass362.460 Da
  • Monoisotopic mass362.209320 Da
  • ChemSpider ID58196651

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,3S,6R,7R,10S,11R,12R)-11-Hydroxy-10-isopropyl-3,7-diméthyl-8-oxo-15-oxatétracyclo[9.3.1.01,6.07,12]pentadéc-13-ène-13-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-1,8a-Epoxyphenanthrene-10-carboxylic acid, 1,3,4,4a,4b,5,6,7,8,10a-decahydro-1-hydroxy-4a,7-dimethyl-2-(1-methylethyl)-4-oxo-, methyl ester, (1R,2S,4aR,4bR,7S,8aR,10aR)- [ACD/Index Name]
Methyl (1R,3S,6R,7R,10S,11R,12R)-11-hydroxy-10-isopropyl-3,7-dimethyl-8-oxo-15-oxatetracyclo[9.3.1.01,6.07,12]pentadec-13-ene-13-carboxylate [ACD/IUPAC Name]
Methyl-(1R,3S,6R,7R,10S,11R,12R)-11-hydroxy-10-isopropyl-3,7-dimethyl-8-oxo-15-oxatetracyclo[9.3.1.01,6.07,12]pentadec-13-en-13-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: 485.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.6±6.0 kJ/mol
Flash Point: 165.4±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: 4.71
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 697.87
ACD/KOC (pH 5.5): 3777.24
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 697.85
ACD/KOC (pH 7.4): 3777.13
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


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