ChemSpider 2D Image | (3alpha)-3-Acetoxy-30-hydroxylup-20(29)-ene-23,28-dioic acid | C32H48O7

(3α)-3-Acetoxy-30-hydroxylup-20(29)-ene-23,28-dioic acid

  • Molecular FormulaC32H48O7
  • Average mass544.719 Da
  • Monoisotopic mass544.340027 Da
  • ChemSpider ID33823860

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α)-3-Acetoxy-30-hydroxylup-20(29)-en-23,28-disäure [German] [ACD/IUPAC Name]
(3α)-3-Acetoxy-30-hydroxylup-20(29)-ene-23,28-dioic acid [ACD/IUPAC Name]
Acide (3α)-3-acétoxy-30-hydroxylup-20(29)-ène-23,28-dioïque [French] [ACD/IUPAC Name]
Lup-20(29)-ene-23,28-dioic acid, 3-(acetyloxy)-30-hydroxy-, (3α)- [ACD/Index Name]
[654663-85-1] [RN]
654663-85-1 [RN]
Acantrifoic acid A
MFCD28016473

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 660.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.3±6.0 kJ/mol
    Flash Point: 205.7±22.2 °C
    Index of Refraction: 1.568
    Molar Refractivity: 146.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 6.54
    ACD/LogD (pH 5.5): 3.85
    ACD/BCF (pH 5.5): 150.39
    ACD/KOC (pH 5.5): 308.28
    ACD/LogD (pH 7.4): 1.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 121 Å2
    Polarizability: 57.9±0.5 10-24cm3
    Surface Tension: 53.2±5.0 dyne/cm
    Molar Volume: 446.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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