Found 31 results

Search term: MF = 'C_{33}H_{47}NO_{3}'
ChemSpider 2D Image | (2R,4aS,6aS,12bR,14aS,14bR)-N-Butyl-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxamide | C33H47NO3

(2R,4aS,6aS,12bR,14aS,14bR)-N-Butyl-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxamide

  • Molecular FormulaC33H47NO3
  • Average mass505.731 Da
  • Monoisotopic mass505.355591 Da
  • ChemSpider ID58989015

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,4aS,6aS,12bR,14aS,14bR)-N-Butyl-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-2-picencarboxamid [German] [ACD/IUPAC Name]
(2R,4aS,6aS,12bR,14aS,14bR)-N-Butyl-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-2-picenecarboxamide [ACD/IUPAC Name]
(2R,4aS,6aS,12bR,14aS,14bR)-N-Butyl-10-hydroxy-2,4a,6a,9,12b,14a-hexaméthyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tétradécahydro-2-picènecarboxamide [French] [ACD/IUPAC Name]
2-Picenecarboxamide, N-butyl-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-, (2R,4aS,6aS,12bR,14aS,14bR)- [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: 699.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.0±6.0 kJ/mol
Flash Point: 376.5±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 148.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.91
ACD/LogD (pH 5.5): 7.50
ACD/BCF (pH 5.5): 296079.84
ACD/KOC (pH 5.5): 287019.25
ACD/LogD (pH 7.4): 7.48
ACD/BCF (pH 7.4): 278854.00
ACD/KOC (pH 7.4): 270320.53
Polar Surface Area: 66 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 447.3±5.0 cm3

Click to predict properties on the Chemicalize site


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