ChemSpider 2D Image | Ethyl (5R)-5-hydroxy-5-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-9-methoxy-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]-3-oxopentanoate | C37H60O5

Ethyl (5R)-5-hydroxy-5-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-9-methoxy-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]-3-oxopentanoate

  • Molecular FormulaC37H60O5
  • Average mass584.869 Da
  • Monoisotopic mass584.444092 Da
  • ChemSpider ID24651735

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(5R)-5-Hydroxy-5-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropényl-9-méthoxy-5a,5b,8,8,11a-pentaméthylicosahydro-3aH-cyclopenta[a]chrysén-3a-yl]-3-oxopentanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (5R)-5-hydroxy-5-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-9-methoxy-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]-3-oxopentanoate [ACD/IUPAC Name]
Ethyl-(5R)-5-hydroxy-5-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-9-methoxy-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]-3-oxopentanoat [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: 622.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.7±6.0 kJ/mol
Flash Point: 180.1±18.1 °C
Index of Refraction: 1.531
Molar Refractivity: 167.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 10.57
ACD/LogD (pH 5.5): 9.04
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1969004.38
ACD/LogD (pH 7.4): 9.04
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1966528.38
Polar Surface Area: 73 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 542.2±5.0 cm3

Click to predict properties on the Chemicalize site


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