Found 16 results

Search term: MF = 'C_{35}H_{51}NO_{4}'
ChemSpider 2D Image | Butyl (1S,2R,4aR,6aS,6bR,8aR,9R,13aS,13bR,15bR)-1,2,4a,6a,6b,9,13a-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-octadecahydropiceno[2,3-d][1,2]oxazole-9-carboxylate | C35H51NO4

Butyl (1S,2R,4aR,6aS,6bR,8aR,9R,13aS,13bR,15bR)-1,2,4a,6a,6b,9,13a-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-octadecahydropiceno[2,3-d][1,2]oxazole-9-carboxylate

  • Molecular FormulaC35H51NO4
  • Average mass549.784 Da
  • Monoisotopic mass549.381836 Da
  • ChemSpider ID26348335

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,2R,4aR,6aS,6bR,8aR,9R,13aS,13bR,15bR)-1,2,4a,6a,6b,9,13a-Heptaméthyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-octadécahydropicéno[2,3-d][1,2]oxazole-9-carboxylate de butyle [French] [ACD/IUPAC Name]
Butyl (1S,2R,4aR,6aS,6bR,8aR,9R,13aS,13bR,15bR)-1,2,4a,6a,6b,9,13a-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-octadecahydropiceno[2,3-d][1,2]oxazole-9-carboxylate [ACD/IUPAC Name]
Butyl-(1S,2R,4aR,6aS,6bR,8aR,9R,13aS,13bR,15bR)-1,2,4a,6a,6b,9,13a-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-octadecahydropiceno[2,3-d][1,2]oxazol-9-carboxylat [German] [ACD/IUPAC Name]
Piceno[2,3-d]isoxazole-9-carboxylic acid, 1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b-octadecahydro-1,2,4a,6a,6b,9,13a-heptamethyl-14-oxo-, butyl ester, (1S,2R,4aR,6aS,6bR,8aR,9R,13aS,13bR,15bR)- [ACD/Index 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: 607.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.1±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 156.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 9.36
ACD/LogD (pH 5.5): 9.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1984814.63
ACD/LogD (pH 7.4): 9.05
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1984814.63
Polar Surface Area: 69 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 488.8±5.0 cm3

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