ChemSpider 2D Image | (3beta,13alpha,14beta,16beta,17alpha,20R)-3-Hydroxy-16,21-epoxylanosta-7,24-diene-6,21-dione | C30H44O4

(3β,13α,14β,16β,17α,20R)-3-Hydroxy-16,21-epoxylanosta-7,24-diene-6,21-dione

  • Molecular FormulaC30H44O4
  • Average mass468.668 Da
  • Monoisotopic mass468.323975 Da
  • ChemSpider ID28425470

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,13α,14β,16β,17α,20R)-3-Hydroxy-16,21-epoxylanosta-7,24-dien-6,21-dion [German] [ACD/IUPAC Name]
(3β,13α,14β,16β,17α,20R)-3-Hydroxy-16,21-epoxylanosta-7,24-diene-6,21-dione [ACD/IUPAC Name]
(3β,13α,14β,16β,17α,20R)-3-Hydroxy-16,21-époxylanosta-7,24-diène-6,21-dione [French] [ACD/IUPAC Name]
Lanosta-7,24-diene-6,21-dione, 16,21-epoxy-3-hydroxy-, (3β,13α,14β,16β,17α,20R)- [ACD/Index Name]
[1221262-77-6] [RN]
1221262-77-6 [RN]
Meliasenin B
MFCD20260998

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 600.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.9 mmHg at 25°C
    Enthalpy of Vaporization: 102.6±6.0 kJ/mol
    Flash Point: 190.8±25.0 °C
    Index of Refraction: 1.558
    Molar Refractivity: 133.5±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.51
    ACD/LogD (pH 5.5): 5.64
    ACD/BCF (pH 5.5): 11342.95
    ACD/KOC (pH 5.5): 27794.68
    ACD/LogD (pH 7.4): 5.64
    ACD/BCF (pH 7.4): 11342.95
    ACD/KOC (pH 7.4): 27794.68
    Polar Surface Area: 64 Å2
    Polarizability: 52.9±0.5 10-24cm3
    Surface Tension: 45.1±5.0 dyne/cm
    Molar Volume: 414.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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