ChemSpider 2D Image | 16β-METHYL-16α,17α-EPOXYPREGNENOLONE | C22H32O3

16β-METHYL-16α,17α-EPOXYPREGNENOLONE

  • Molecular FormulaC22H32O3
  • Average mass344.488 Da
  • Monoisotopic mass344.235138 Da
  • ChemSpider ID21587140

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(16α)-3-Hydroxy-16-methyl-16,17-epoxypregn-5-en-20-on [German] [ACD/IUPAC Name]
(16α)-3-Hydroxy-16-methyl-16,17-epoxypregn-5-en-20-one [ACD/IUPAC Name]
(16α)-3-Hydroxy-16-méthyl-16,17-époxyprégn-5-én-20-one [French] [ACD/IUPAC Name]
16β-METHYL-16α,17α-EPOXYPREGNENOLONE
Pregn-5-en-20-one, 16,17-epoxy-3-hydroxy-16-methyl-, (16α)- [ACD/Index Name]
1-((6AR,6bS,8aS,8bS,9aR,10aS,10bR)-4-hydroxy-6a,8a,9a-trimethyl-3,4,5,6,6a,6b,7,8,8a,8b,9a,10,10a,10b-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-8b-yl)ethanone
16β-METHYL-16α,17α-EPOXYPREGNENOLONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 462.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.4±6.0 kJ/mol
Flash Point: 156.2±22.2 °C
Index of Refraction: 1.573
Molar Refractivity: 96.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 408.58
ACD/KOC (pH 5.5): 2574.86
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 408.58
ACD/KOC (pH 7.4): 2574.86
Polar Surface Area: 50 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 293.7±5.0 cm3

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