ChemSpider 2D Image | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-3a-[(2R)-5-oxo-2,5-dihydro-2-furanyl]icosahydro-1H-cyclopenta[a]chrysen-9-yl acetate | C35H52O4

(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-3a-[(2R)-5-oxo-2,5-dihydro-2-furanyl]icosahydro-1H-cyclopenta[a]chrysen-9-yl acetate

  • Molecular FormulaC35H52O4
  • Average mass536.785 Da
  • Monoisotopic mass536.386536 Da
  • ChemSpider ID24676322

  • defined stereocentres - 11 of 11 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-3a-[(2R)-5-oxo-2,5-dihydro-2-furanyl]icosahydro-1H-cyclopenta[a]chrysen-9-yl acetate [ACD/IUPAC Name]
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-3a-[(2R)-5-oxo-2,5-dihydro-2-furanyl]icosahydro-1H-cyclopenta[a]chrysen-9-yl-acetat [German] [ACD/IUPAC Name]
2(5H)-Furanone, 5-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(acetyloxy)eicosahydro-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-3aH-cyclopenta[a]chrysen-3a-yl]-, (5R)- [ACD/Index Name]
Acétate de (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropényl-5a,5b,8,8,11a-pentaméthyl-3a-[(2R)-5-oxo-2,5-dihydro-2-furanyl]icosahydro-1H-cyclopenta[a]chrysén-9-yle [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: 600.6±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 291.0±28.0 °C
Index of Refraction: 1.548
Molar Refractivity: 154.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.76
ACD/LogD (pH 5.5): 9.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1982695.38
ACD/LogD (pH 7.4): 9.05
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1982695.38
Polar Surface Area: 53 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 487.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement