ChemSpider 2D Image | Methyl (5R,9R,13R,18R)-20-isopropyl-5,9-dimethyl-14,17-dioxopentacyclo[10.6.2.0~1,10~.0~4,9~.0~13,18~]icos-19-ene-5-carboxylate | C27H38O4

Methyl (5R,9R,13R,18R)-20-isopropyl-5,9-dimethyl-14,17-dioxopentacyclo[10.6.2.01,10.04,9.013,18]icos-19-ene-5-carboxylate

  • Molecular FormulaC27H38O4
  • Average mass426.588 Da
  • Monoisotopic mass426.277008 Da
  • ChemSpider ID21781528

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(5R,9R,13R,18R)-20-Isopropyl-5,9-diméthyl-14,17-dioxopentacyclo[10.6.2.01,10.04,9.013,18]icos-19-ène-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-4b,12-Ethenochrysene-7-carboxylic acid, 2,3,4,4a,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydro-7,10a-dimethyl-13-(1-methylethyl)-1,4-dioxo-, methyl ester, (4aR,7R,10aR,12aR)- [ACD/Index Name]
Methyl (5R,9R,13R,18R)-20-isopropyl-5,9-dimethyl-14,17-dioxopentacyclo[10.6.2.01,10.04,9.013,18]icos-19-ene-5-carboxylate [ACD/IUPAC Name]
Methyl-(5R,9R,13R,18R)-20-isopropyl-5,9-dimethyl-14,17-dioxopentacyclo[10.6.2.01,10.04,9.013,18]icos-19-en-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 536.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 228.4±30.2 °C
Index of Refraction: 1.551
Molar Refractivity: 118.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9393.31
ACD/KOC (pH 5.5): 24284.74
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9393.31
ACD/KOC (pH 7.4): 24284.74
Polar Surface Area: 60 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 371.6±5.0 cm3

Click to predict properties on the Chemicalize site


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