ChemSpider 2D Image | (5xi,18xi)-Lup-20(29)-en-3-one | C30H48O

(5ξ,18ξ)-Lup-20(29)-en-3-one

  • Molecular FormulaC30H48O
  • Average mass424.702 Da
  • Monoisotopic mass424.370514 Da
  • ChemSpider ID22875209

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(5ξ,18ξ)-Lup-20(29)-en-3-on [German] [ACD/IUPAC Name]
(5ξ,18ξ)-Lup-20(29)-en-3-one [ACD/IUPAC Name]
(5ξ,18ξ)-Lup-20(29)-én-3-one [French] [ACD/IUPAC Name]
Lup-20(29)-en-3-one, (5ξ,18ξ)- [ACD/Index Name]
(1R,3aR,5aR,5bR,11aR,11bR,13aR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 485.7±14.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.1±3.0 kJ/mol
    Flash Point: 201.6±15.1 °C
    Index of Refraction: 1.510
    Molar Refractivity: 130.3±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 10.40
    ACD/LogD (pH 5.5): 9.31
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 2757230.50
    ACD/LogD (pH 7.4): 9.31
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 2757230.50
    Polar Surface Area: 17 Å2
    Polarizability: 51.7±0.5 10-24cm3
    Surface Tension: 33.1±3.0 dyne/cm
    Molar Volume: 436.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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