ChemSpider 2D Image | (13alpha)-17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate | C23H30O6

(13α)-17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate

  • Molecular FormulaC23H30O6
  • Average mass402.481 Da
  • Monoisotopic mass402.204254 Da
  • ChemSpider ID30392150

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(13α)-17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate [ACD/IUPAC Name]
(13α)-17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl-acetat [German] [ACD/IUPAC Name]
1486485-40-8 [RN]
Acétate de (13α)-17-hydroxy-3,11,20-trioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Pregn-4-ene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-, (13α)- [ACD/Index Name]
2-[(1R,3aS,3bS,9aR,9bS,11aR)-1-hydroxy-9a,11a-dimethyl-7,10-dioxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate
2-[(1S,2R,10S,11S,14R,15R)-14-hydroxy-2,15-dimethyl-5,17-dioxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-14-yl]-2-oxoethyl acetate
MFCD22741215

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

Density: 1.3±0.1 g/cm3
Boiling Point: 577.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.2±6.0 kJ/mol
Flash Point: 197.3±23.6 °C
Index of Refraction: 1.566
Molar Refractivity: 103.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.59
ACD/KOC (pH 5.5): 383.69
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.59
ACD/KOC (pH 7.4): 383.68
Polar Surface Area: 98 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 318.2±5.0 cm3

Click to predict properties on the Chemicalize site


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