ChemSpider 2D Image | (1aS,13aR)-7b-Acetyl-5a,7a-dimethylicosahydroindeno[2',1':1,2]phenanthro[8a,9-b]oxiren-3-yl acetate | C27H40O4

(1aS,13aR)-7b-Acetyl-5a,7a-dimethylicosahydroindeno[2',1':1,2]phenanthro[8a,9-b]oxiren-3-yl acetate

  • Molecular FormulaC27H40O4
  • Average mass428.604 Da
  • Monoisotopic mass428.292664 Da
  • ChemSpider ID21781459

  • defined stereocentres - 2 of 10 defined stereocentres

More details:

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

(1aS,13aR)-7b-Acetyl-5a,7a-dimethylicosahydroindeno[2',1':1,2]phenanthro[8a,9-b]oxiren-3-yl acetate [ACD/IUPAC Name]
(1aS,13aR)-7b-Acetyl-5a,7a-dimethylicosahydroindeno[2',1':1,2]phenanthro[8a,9-b]oxiren-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1aS,13aR)-7b-acétyl-5a,7a-diméthylicosahydroindéno[2',1':1,2]phénanthro[8a,9-b]oxirén-3-yle [French] [ACD/IUPAC Name]
Ethanone, 1-[(1aS,13aR)-3-(acetyloxy)octadecahydro-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: 517.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 220.2±26.0 °C
Index of Refraction: 1.554
Molar Refractivity: 118.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2895.16
ACD/KOC (pH 5.5): 10458.29
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2895.16
ACD/KOC (pH 7.4): 10458.29
Polar Surface Area: 56 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 369.3±5.0 cm3

Click to predict properties on the Chemicalize site


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