ChemSpider 2D Image | 1,1'-[(2S,4aR,6aS,6bS,7aR)-2-Hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]azirene-6b,7-diyl]diethanone | C23H33NO3

1,1'-[(2S,4aR,6aS,6bS,7aR)-2-Hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]azirene-6b,7-diyl]diethanone

  • Molecular FormulaC23H33NO3
  • Average mass371.513 Da
  • Monoisotopic mass371.246033 Da
  • ChemSpider ID25022732

  • defined stereocentres - 5 of 9 defined stereocentres

More details:

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

1,1'-[(2S,4aR,6aS,6bS,7aR)-2-Hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]aziren-6b,7-diyl]diethanon [German] [ACD/IUPAC Name]
1,1'-[(2S,4aR,6aS,6bS,7aR)-2-Hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]azirene-6b,7-diyl]diethanone [ACD/IUPAC Name]
1,1'-[(2S,4aR,6aS,6bS,7aR)-2-Hydroxy-4a,6a-diméthyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tétradécahydronaphto[2',1':4,5]indéno[1,2-b]azirène-6b,7-diyl]diéthanone [French] [ACD/IUPAC Name]
Ethanone, 1,1'-[(2S,4aR,6aS,6bS,7aR)-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydro-2-hydroxy-4a,6a-dimethylnaphth[2',1':4,5]indeno[1,2-b]azirine-6b,7-diyl]bis- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 535.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.4±6.0 kJ/mol
Flash Point: 277.5±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 103.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 187.65
ACD/KOC (pH 5.5): 1475.27
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 187.65
ACD/KOC (pH 7.4): 1475.27
Polar Surface Area: 57 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 307.2±5.0 cm3

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