ChemSpider 2D Image | (13alpha,14beta,16beta,17alpha,20R)-16,21-Epoxylanosta-7,24-diene-3,21-dione | C30H44O3

(13α,14β,16β,17α,20R)-16,21-Epoxylanosta-7,24-diene-3,21-dione

  • Molecular FormulaC30H44O3
  • Average mass452.669 Da
  • Monoisotopic mass452.329041 Da
  • ChemSpider ID23340023

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(13α,14β,16β,17α,20R)-16,21-Epoxylanosta-7,24-dien-3,21-dion [German] [ACD/IUPAC Name]
(13α,14β,16β,17α,20R)-16,21-Epoxylanosta-7,24-diene-3,21-dione [ACD/IUPAC Name]
(13α,14β,16β,17α,20R)-16,21-Époxylanosta-7,24-diène-3,21-dione [French] [ACD/IUPAC Name]
Lanosta-7,24-diene-3,21-dione, 16,21-epoxy-, (13α,14β,16β,17α,20R)- [ACD/Index Name]
(2S,4S,7R,8S,9S,12R,13R,18R)-2,9,13,17,17-pentamethyl-7-(4-methylpent-3-enyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-ene-6,16-dione
22611-36-5 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL464664/
Kulactone

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 562.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.5±3.0 kJ/mol
    Flash Point: 236.9±30.2 °C
    Index of Refraction: 1.547
    Molar Refractivity: 132.0±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 7.22
    ACD/LogD (pH 5.5): 7.03
    ACD/BCF (pH 5.5): 130433.70
    ACD/KOC (pH 5.5): 159651.73
    ACD/LogD (pH 7.4): 7.03
    ACD/BCF (pH 7.4): 130433.70
    ACD/KOC (pH 7.4): 159651.73
    Polar Surface Area: 43 Å2
    Polarizability: 52.3±0.5 10-24cm3
    Surface Tension: 41.8±5.0 dyne/cm
    Molar Volume: 416.1±5.0 cm3

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