ChemSpider 2D Image | {(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-9-[(2-pyrrolidinylcarbonyl)oxy]icosahydro-3aH-cyclopenta[a]chrysen-3a-yl}methyl 2-pyrrolidinecarboxylate (non-prefe rred name) | C40H64N2O4

{(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-9-[(2-pyrrolidinylcarbonyl)oxy]icosahydro-3aH-cyclopenta[a]chrysen-3a-yl}methyl 2-pyrrolidinecarboxylate (non-prefe rred name)

  • Molecular FormulaC40H64N2O4
  • Average mass636.947 Da
  • Monoisotopic mass636.486633 Da
  • ChemSpider ID8480273

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

{(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-9-[(2-pyrrolidinylcarbonyl)oxy]icosahydro-3aH-cyclopenta[a]chrysen-3a-yl}methyl 2-pyrrolidinecarboxylate (non-prefe rred name) [ACD/IUPAC Name]
{(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-9-[(2-pyrrolidinylcarbonyl)oxy]icosahydro-3aH-cyclopenta[a]chrysen-3a-yl}methyl-2-pyrrolidincarboxylat (non-preferr ed name) [German] [ACD/IUPAC Name]
2-Pyrrolidinecarboxylate de {(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropényl-5a,5b,8,8,11a-pentaméthyl-9-[(2-pyrrolidinylcarbonyl)oxy]icosahydro-3aH-cyclopenta[a]chrysén-3a-yl}méthyle (non-p referred name) [French] [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: 662.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.5±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 183.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.24
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 1006.29
ACD/KOC (pH 5.5): 342.48
ACD/LogD (pH 7.4): 7.82
ACD/BCF (pH 7.4): 193221.55
ACD/KOC (pH 7.4): 65760.99
Polar Surface Area: 77 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 570.9±5.0 cm3

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