ChemSpider 2D Image | Methyl (3beta,5alpha)-3-acetoxy-4,4,14-trimethyl-7,11-dioxochol-8-en-24-oate | C30H44O6

Methyl (3β,5α)-3-acetoxy-4,4,14-trimethyl-7,11-dioxochol-8-en-24-oate

  • Molecular FormulaC30H44O6
  • Average mass500.667 Da
  • Monoisotopic mass500.313782 Da
  • ChemSpider ID204420
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(3β,5α)-3-Acétoxy-4,4,14-triméthyl-7,11-dioxochol-8-én-24-oate de méthyle [French] [ACD/IUPAC Name]
Chol-8-en-24-oic acid, 3-(acetyloxy)-4,4,14-trimethyl-7,11-dioxo-, methyl ester, (3β,5α)- [ACD/Index Name]
Methyl (3β,5α)-3-acetoxy-4,4,14-trimethyl-7,11-dioxochol-8-en-24-oate [ACD/IUPAC Name]
Methyl-(3β,5α)-3-acetoxy-4,4,14-trimethyl-7,11-dioxochol-8-en-24-oat [German] [ACD/IUPAC Name]
57706-74-8 [RN]

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

NSC34201 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 563.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 235.1±30.2 °C
Index of Refraction: 1.530
Molar Refractivity: 136.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18916.56
ACD/KOC (pH 5.5): 40082.07
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18916.56
ACD/KOC (pH 7.4): 40082.07
Polar Surface Area: 87 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 440.5±5.0 cm3

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