ChemSpider 2D Image | (6alpha,11beta)-6,11,17-Trihydroxy-3,20-dioxopregn-4-en-21-yl acetate | C23H32O7

(6α,11β)-6,11,17-Trihydroxy-3,20-dioxopregn-4-en-21-yl acetate

  • Molecular FormulaC23H32O7
  • Average mass420.496 Da
  • Monoisotopic mass420.214813 Da
  • ChemSpider ID35467296

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(6α,11β)-6,11,17-Trihydroxy-3,20-dioxopregn-4-en-21-yl acetate [ACD/IUPAC Name]
(6α,11β)-6,11,17-Trihydroxy-3,20-dioxopregn-4-en-21-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (6α,11β)-6,11,17-trihydroxy-3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 21-(acetyloxy)-6,11,17-trihydroxy-, (6α,11β)- [ACD/Index Name]
[2-oxo-2-[(6S,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate
21-O-Acetyl 6??-Hydroxy Cortisol
21-O-Acetyl 6|A-Hydroxy Cortisol
21-o-acetyl 6α-hydroxy cortisol
21-O-ACETYL 6α-HYDROXY CORTISOL
2-oxo-2-((6S,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl acetate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 619.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.1 mmHg at 25°C
    Enthalpy of Vaporization: 105.3±6.0 kJ/mol
    Flash Point: 211.8±25.0 °C
    Index of Refraction: 1.588
    Molar Refractivity: 106.7±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.90
    ACD/LogD (pH 5.5): 1.16
    ACD/BCF (pH 5.5): 4.49
    ACD/KOC (pH 5.5): 102.00
    ACD/LogD (pH 7.4): 1.16
    ACD/BCF (pH 7.4): 4.49
    ACD/KOC (pH 7.4): 102.00
    Polar Surface Area: 121 Å2
    Polarizability: 42.3±0.5 10-24cm3
    Surface Tension: 60.1±5.0 dyne/cm
    Molar Volume: 317.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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