ChemSpider 2D Image | (9beta,11beta,16alpha)-21-Acetoxy-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-17-yl 2-furoate | C29H32O8

(9β,11β,16α)-21-Acetoxy-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-17-yl 2-furoate

  • Molecular FormulaC29H32O8
  • Average mass508.560 Da
  • Monoisotopic mass508.209717 Da
  • ChemSpider ID48063704

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(9β,11β,16α)-21-Acetoxy-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-17-yl 2-furoate [ACD/IUPAC Name]
(9β,11β,16α)-21-Acetoxy-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-17-yl-2-furoat [German] [ACD/IUPAC Name]
2-Furancarboxylic acid, (9β,11β,16α)-21-(acetyloxy)-9,11-epoxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl ester [ACD/Index Name]
2-Furoate de (9β,11β,16α)-21-acétoxy-16-méthyl-3,20-dioxo-9,11-époxyprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]
109183-56-4 [RN]
302-97-6 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 642.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.9±3.0 kJ/mol
    Flash Point: 342.5±31.5 °C
    Index of Refraction: 1.597
    Molar Refractivity: 130.0±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 4.70
    ACD/LogD (pH 5.5): 3.78
    ACD/BCF (pH 5.5): 435.88
    ACD/KOC (pH 5.5): 2696.88
    ACD/LogD (pH 7.4): 3.78
    ACD/BCF (pH 7.4): 435.88
    ACD/KOC (pH 7.4): 2696.88
    Polar Surface Area: 112 Å2
    Polarizability: 51.5±0.5 10-24cm3
    Surface Tension: 55.9±5.0 dyne/cm
    Molar Volume: 381.6±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement