ChemSpider 2D Image | Methyl (3beta,5alpha)-3-acetoxy-4,4,14-trimethyl-7,11-dioxocholan-24-oate | C30H46O6

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

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID204421

  • defined stereocentres - 9 of 9 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-dioxocholan-24-oate de méthyle [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3- (acetyloxy)-4,4,14-trimethyl-7,11-dioxo-, methyl ester, (3β,5α)-
Cholan-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-dioxocholan-24-oate [ACD/IUPAC Name]
Methyl-(3β,5α)-3-acetoxy-4,4,14-trimethyl-7,11-dioxocholan-24-oat [German] [ACD/IUPAC Name]
57706-68-0 [RN]
Cholan-24-oic acid, 3-(acetyloxy)-4,4,14-trimethyl-7,11-dioxo-, methyl ester, (3β,5α)-
Cholan-24-oic acid, 3-(acetyloxy)-4,4,14-trimethyl-7,11-dioxo-, methyl ester, (3-β-5-
α-

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

NSC34202 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 558.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 232.7±30.2 °C
Index of Refraction: 1.521
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4193.47
ACD/KOC (pH 5.5): 13634.26
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4193.47
ACD/KOC (pH 7.4): 13634.26
Polar Surface Area: 87 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 448.7±5.0 cm3

Click to predict properties on the Chemicalize site


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