ChemSpider 2D Image | (13aR)-6b-Acetyl-13a-hydroxy-4a,6a-dimethyl-13-oxoicosahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate | C27H40O5

(13aR)-6b-Acetyl-13a-hydroxy-4a,6a-dimethyl-13-oxoicosahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate

  • Molecular FormulaC27H40O5
  • Average mass444.603 Da
  • Monoisotopic mass444.287567 Da
  • ChemSpider ID21474589

  • defined stereocentres - 1 of 9 defined stereocentres

More details:

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

(13aR)-6b-Acetyl-13a-hydroxy-4a,6a-dimethyl-13-oxoicosahydro-1H-indeno[2,1-a]phenanthren-2-yl acetate [ACD/IUPAC Name]
(13aR)-6b-Acetyl-13a-hydroxy-4a,6a-dimethyl-13-oxoicosahydro-1H-indeno[2,1-a]phenanthren-2-yl-acetat [German] [ACD/IUPAC Name]
13H-Indeno[2,1-a]phenanthren-13-one, 6b-acetyl-2-(acetyloxy)eicosahydro-13a-hydroxy-4a,6a-dimethyl-, (13aR)- [ACD/Index Name]
Acétate de (13aR)-6b-acétyl-13a-hydroxy-4a,6a-diméthyl-13-oxoicosahydro-1H-indéno[2,1-a]phénanthrén-2-yle [French] [ACD/IUPAC 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: 548.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.2±6.0 kJ/mol
Flash Point: 176.1±23.6 °C
Index of Refraction: 1.554
Molar Refractivity: 120.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 458.19
ACD/KOC (pH 5.5): 2794.99
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 458.18
ACD/KOC (pH 7.4): 2794.96
Polar Surface Area: 81 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 375.5±5.0 cm3

Click to predict properties on the Chemicalize site


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