ChemSpider 2D Image | Methyl 3-acetoxy-16-hydroxy-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-ene-14-carboxylate | C28H38O8

Methyl 3-acetoxy-16-hydroxy-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-ene-14-carboxylate

  • Molecular FormulaC28H38O8
  • Average mass502.596 Da
  • Monoisotopic mass502.256653 Da
  • ChemSpider ID22369722

More details:

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

3-Acétoxy-16-hydroxy-4,4,8,12,16-pentaméthyl-15,17,19-trioxoandrost-11-ène-14-carboxylate de méthyle [French] [ACD/IUPAC Name]
Androst-11-ene-14-carboxylic acid, 3-(acetyloxy)-16-hydroxy-4,4,8,12,16-pentamethyl-15,17,19-trioxo-, methyl ester [ACD/Index Name]
Methyl 3-acetoxy-16-hydroxy-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-ene-14-carboxylate [ACD/IUPAC Name]
Methyl-3-acetoxy-16-hydroxy-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-en-14-carboxylat [German] [ACD/IUPAC Name]
Compound NP-004037
methyl 3-acetyloxy-10-formyl-16-hydroxy-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate
NCGC00384939-01C28H38O8Methyl 3-acetoxy-16-hydroxy-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-ene-14-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 589.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.9±6.0 kJ/mol
Flash Point: 186.7±23.6 °C
Index of Refraction: 1.553
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 687.95
ACD/KOC (pH 5.5): 3738.73
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 687.11
ACD/KOC (pH 7.4): 3734.14
Polar Surface Area: 124 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 402.9±5.0 cm3

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