Found 28 results

Search term: MF = 'C_{39}H_{52}O_{7}'
ChemSpider 2D Image | (3beta)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-23-hydroxylupa-12,20(29)-dien-28-oic acid | C39H52O7

(3β)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-23-hydroxylupa-12,20(29)-dien-28-oic acid

  • Molecular FormulaC39H52O7
  • Average mass632.826 Da
  • Monoisotopic mass632.371277 Da
  • ChemSpider ID8207559

  • 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

(3β)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-23-hydroxylupa-12,20(29)-dien-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-23-hydroxylupa-12,20(29)-dien-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-{[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]oxy}-23-hydroxylupa-12,20(29)-dién-28-oïque [French] [ACD/IUPAC Name]
Lupa-12,20(29)-dien-28-oic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-23-hydroxy-, (3β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 757.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 229.5±26.4 °C
Index of Refraction: 1.615
Molar Refractivity: 176.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.81
ACD/LogD (pH 5.5): 6.83
ACD/BCF (pH 5.5): 52753.80
ACD/KOC (pH 5.5): 43542.72
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 814.23
ACD/KOC (pH 7.4): 672.06
Polar Surface Area: 124 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 506.1±5.0 cm3

Click to predict properties on the Chemicalize site


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