ChemSpider 2D Image | (3beta)-Lup-20(29)-en-3-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate | C39H56O4

(3β)-Lup-20(29)-en-3-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate

  • Molecular FormulaC39H56O4
  • Average mass588.859 Da
  • Monoisotopic mass588.417847 Da
  • ChemSpider ID28424559

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2E)-3-(3,4-Dihydroxyphényl)acrylate de (3β)-lup-20(29)-én-3-yle [French] [ACD/IUPAC Name]
(3β)-Lup-20(29)-en-3-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate [ACD/IUPAC Name]
(3β)-Lup-20(29)-en-3-yl-(2E)-3-(3,4-dihydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (3β)-lup-20(29)-en-3-yl ester, (2E)- [ACD/Index Name]
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-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-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
[103917-26-6] [RN]
103917-26-6 [RN]
CID 12149208
LUPEOL CAFFEATE
Lupeolcaffeate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 654.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.9±3.0 kJ/mol
    Flash Point: 192.8±22.2 °C
    Index of Refraction: 1.579
    Molar Refractivity: 173.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 12.89
    ACD/LogD (pH 5.5): 11.49
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 11.49
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 67 Å2
    Polarizability: 68.8±0.5 10-24cm3
    Surface Tension: 48.2±5.0 dyne/cm
    Molar Volume: 522.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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