ChemSpider 2D Image | 1-[(1aS,3R,5aS,7aR,7bR,11aR,12bR,13aR)-3-Hydroxy-5a,7a-dimethyloctadecahydroindeno[2',1':1,2]phenanthro[8a,9-b]oxiren-7b(2H)-yl]ethanone | C25H38O3

1-[(1aS,3R,5aS,7aR,7bR,11aR,12bR,13aR)-3-Hydroxy-5a,7a-dimethyloctadecahydroindeno[2',1':1,2]phenanthro[8a,9-b]oxiren-7b(2H)-yl]ethanone

  • Molecular FormulaC25H38O3
  • Average mass386.567 Da
  • Monoisotopic mass386.282104 Da
  • ChemSpider ID113598614

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

1-[(1aS,3R,5aS,7aR,7bR,11aR,12bR,13aR)-3-Hydroxy-5a,7a-dimethyloctadecahydroindeno[2',1':1,2]phenanthro[8a,9-b]oxiren-7b(2H)-yl]ethanon [German] [ACD/IUPAC Name]
1-[(1aS,3R,5aS,7aR,7bR,11aR,12bR,13aR)-3-Hydroxy-5a,7a-dimethyloctadecahydroindeno[2',1':1,2]phenanthro[8a,9-b]oxiren-7b(2H)-yl]ethanone [ACD/IUPAC Name]
1-[(1aS,3R,5aS,7aR,7bR,11aR,12bR,13aR)-3-Hydroxy-5a,7a-diméthyloctadécahydroindéno[2',1':1,2]phénanthro[8a,9-b]oxirén-7b(2H)-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(1aS,3R,5aS,7aR,7bR,11aR,12bR,13aR)-octadecahydro-3-hydroxy-5a,7a-dimethylindeno[2',1':1,2]phenanthro[8a,9-b]oxiren-7b(2H)-yl]- [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: 512.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.3±6.0 kJ/mol
Flash Point: 170.0±18.1 °C
Index of Refraction: 1.571
Molar Refractivity: 108.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 907.39
ACD/KOC (pH 5.5): 4558.16
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 907.39
ACD/KOC (pH 7.4): 4558.16
Polar Surface Area: 50 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 331.4±5.0 cm3

Click to predict properties on the Chemicalize site


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