ChemSpider 2D Image | Methyl (17E)-16-acetoxy-11-hydroxy-4,8,14-trimethyl-3-oxo-18-norcholesta-17,24-dien-21-oate | C32H48O6

Methyl (17E)-16-acetoxy-11-hydroxy-4,8,14-trimethyl-3-oxo-18-norcholesta-17,24-dien-21-oate

  • Molecular FormulaC32H48O6
  • Average mass528.720 Da
  • Monoisotopic mass528.345093 Da
  • ChemSpider ID4515764

  • Double-bond stereo - Double-bond stereo

More details:

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

(17E)-16-Acétoxy-11-hydroxy-4,8,14-triméthyl-3-oxo-18-norcholesta-17,24-dién-21-oate de méthyle [French] [ACD/IUPAC Name]
5-Heptenoic acid, 2-[(17E)-16-(acetyloxy)-11-hydroxy-4,8,10,14-tetramethyl-3-oxogonan-17-ylidene]-6-methyl-, methyl ester, (2E)- [ACD/Index Name]
Methyl (17E)-16-acetoxy-11-hydroxy-4,8,14-trimethyl-3-oxo-18-norcholesta-17,24-dien-21-oate [ACD/IUPAC Name]
Methyl-(17E)-16-acetoxy-11-hydroxy-4,8,14-trimethyl-3-oxo-18-norcholesta-17,24-dien-21-oat [German] [ACD/IUPAC Name]
2-(16-Acetoxy-11-hydroxy-4,8,10,14-tetramethyl-3-oxohexadecahydrocyclopenta[a]phenanthren-17-ylidene)-6-methyl-hept-5-enoic acid, methyl ester
Methyl (2E)-2-[16-(acetyloxy)-11-hydroxy-4,8,10,14-tetramethyl-3-oxogonan-17-ylidene]-6-methyl-5-heptenoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 604.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.1±6.0 kJ/mol
Flash Point: 183.8±25.0 °C
Index of Refraction: 1.539
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23244.11
ACD/KOC (pH 5.5): 46450.69
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23244.11
ACD/KOC (pH 7.4): 46450.69
Polar Surface Area: 90 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 467.1±5.0 cm3

Click to predict properties on the Chemicalize site


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