ChemSpider 2D Image | (3beta,5alpha,11alpha,12beta,14beta,17alpha)-3,11,12-Trihydroxy-8,14-epoxypregnan-20-one | C21H32O5

(3β,5α,11α,12β,14β,17α)-3,11,12-Trihydroxy-8,14-epoxypregnan-20-one

  • Molecular FormulaC21H32O5
  • Average mass364.476 Da
  • Monoisotopic mass364.224976 Da
  • ChemSpider ID28425564
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(3β,5α,11α,12β,14β,17α)-3,11,12-Trihydroxy-8,14-epoxypregnan-20-on [German] [ACD/IUPAC Name]
(3β,5α,11α,12β,14β,17α)-3,11,12-Trihydroxy-8,14-epoxypregnan-20-one [ACD/IUPAC Name]
(3β,5α,11α,12β,14β,17α)-3,11,12-Trihydroxy-8,14-époxyprégnan-20-one [French] [ACD/IUPAC Name]
Pregnan-20-one, 8,14-epoxy-3,11,12-trihydroxy-, (3β,5α,11α,12β,14β,17α)- [ACD/Index Name]
80508-42-5 [RN]
Tenacigenin B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 537.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.6±6.0 kJ/mol
Flash Point: 187.2±23.6 °C
Index of Refraction: 1.597
Molar Refractivity: 95.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.55
ACD/KOC (pH 5.5): 102.91
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.55
ACD/KOC (pH 7.4): 102.91
Polar Surface Area: 90 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 280.2±5.0 cm3

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