ChemSpider 2D Image | (3beta)-3-{[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]oxy}olean-12-en-28-oic acid | C39H54O5

(3β)-3-{[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]oxy}olean-12-en-28-oic acid

  • Molecular FormulaC39H54O5
  • Average mass602.843 Da
  • Monoisotopic mass602.397095 Da
  • ChemSpider ID8754899

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-3-{[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]oxy}olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]oxy}olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-{[(2E)-3-(4-hydroxyphényl)-2-propenoyl]oxy}oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (3β)- [ACD/Index Name]
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
[151334-06-4] [RN]
151334-06-4 [RN]
3?-(p-hydroxy-trans-cinnamoyloxy)olean-12-en-28-oic acid
3-O-(E)-Hydroxycinnamoyl oleanolic acid
3-O-p-Coumaroyloleanolic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 687.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 105.8±3.0 kJ/mol
    Flash Point: 204.9±25.0 °C
    Index of Refraction: 1.588
    Molar Refractivity: 173.9±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 11.42
    ACD/LogD (pH 5.5): 9.77
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 1865514.75
    ACD/LogD (pH 7.4): 7.97
    ACD/BCF (pH 7.4): 147499.92
    ACD/KOC (pH 7.4): 29206.62
    Polar Surface Area: 84 Å2
    Polarizability: 69.0±0.5 10-24cm3
    Surface Tension: 51.2±5.0 dyne/cm
    Molar Volume: 516.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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