ChemSpider 2D Image | 1-[(2E,4aS,4bS,6aR,6bR,10aS,11aS,11bS)-2-(Acetoxyimino)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-6bH-indeno[2,1-a]phenanthren-6b-yl]ethanone | C27H39NO3

1-[(2E,4aS,4bS,6aR,6bR,10aS,11aS,11bS)-2-(Acetoxyimino)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-6bH-indeno[2,1-a]phenanthren-6b-yl]ethanone

  • Molecular FormulaC27H39NO3
  • Average mass425.603 Da
  • Monoisotopic mass425.292999 Da
  • ChemSpider ID62298477

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1-[(2E,4aS,4bS,6aR,6bR,10aS,11aS,11bS)-2-(Acetoxyimino)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-6bH-indeno[2,1-a]phenanthren-6b-yl]ethanon [German] [ACD/IUPAC Name]
1-[(2E,4aS,4bS,6aR,6bR,10aS,11aS,11bS)-2-(Acetoxyimino)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-6bH-indeno[2,1-a]phenanthren-6b-yl]ethanone [ACD/IUPAC Name]
1-[(2E,4aS,4bS,6aR,6bR,10aS,11aS,11bS)-2-(Acétoxyimino)-4a,6a-diméthyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,11,11a,11b,12,13-octadécahydro-6bH-indéno[2,1-a]phénanthrén-6b-yl]éthanone [French] [ACD/IUPAC Name]
2H-Indeno[2,1-a]phenanthren-2-one, 6b-acetyl-3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-4a,6a-dimethyl-, O-acetyloxime, (2E,4aS,4bS,6aR,6bR,10aS,11aS,11bS)- [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: 533.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 173.9±27.3 °C
Index of Refraction: 1.625
Molar Refractivity: 121.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14596.78
ACD/KOC (pH 5.5): 33293.75
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14596.78
ACD/KOC (pH 7.4): 33293.75
Polar Surface Area: 56 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 342.7±7.0 cm3

Click to predict properties on the Chemicalize site


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