ChemSpider 2D Image | (3beta,5xi,9xi,18xi)-Lup-20(29)-en-3-ol | C30H50O

(3β,5ξ,9ξ,18ξ)-Lup-20(29)-en-3-ol

  • Molecular FormulaC30H50O
  • Average mass426.717 Da
  • Monoisotopic mass426.386169 Da
  • ChemSpider ID22875164

  • defined stereocentres - 7 of 10 defined stereocentres

More details:

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

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

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 488.1±14.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 86.9±6.0 kJ/mol
    Flash Point: 216.9±12.4 °C
    Index of Refraction: 1.516
    Molar Refractivity: 131.8±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 10.98
    ACD/LogD (pH 5.5): 9.41
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 3153893.50
    ACD/LogD (pH 7.4): 9.41
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 3153893.50
    Polar Surface Area: 20 Å2
    Polarizability: 52.2±0.5 10-24cm3
    Surface Tension: 34.3±3.0 dyne/cm
    Molar Volume: 436.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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