Found 28 results

Search term: MF = 'C_{39}H_{52}O_{7}'
ChemSpider 2D Image | (5xi,8xi,9xi,10xi,17xi,18xi)-27-{[(2E)-3-(3,5-Dihydroxyphenyl)-2-propenoyl]oxy}-3-oxoolean-12-en-28-oic acid | C39H52O7

(5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-27-{[(2E)-3-(3,5-Dihydroxyphenyl)-2-propenoyl]oxy}-3-oxoolean-12-en-28-oic acid

  • Molecular FormulaC39H52O7
  • Average mass632.826 Da
  • Monoisotopic mass632.371277 Da
  • ChemSpider ID8136493

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 7 defined stereocentres

More details:

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

(5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-27-{[(2E)-3-(3,5-Dihydroxyphenyl)-2-propenoyl]oxy}-3-oxoolean-12-en-28-oic acid [ACD/IUPAC Name]
(5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-27-{[(2E)-3-(3,5-Dihydroxyphenyl)-2-propenoyl]oxy}-3-oxoolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)-27-{[(2E)-3-(3,5-dihydroxyphényl)-2-propenoyl]oxy}-3-oxooléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 27-[[(2E)-3-(3,5-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3-oxo-, (5ξ,8ξ,9ξ,10ξ,17ξ,18ξ)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 756.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 229.3±26.4 °C
Index of Refraction: 1.605
Molar Refractivity: 175.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.32
ACD/LogD (pH 5.5): 7.14
ACD/BCF (pH 5.5): 88331.48
ACD/KOC (pH 5.5): 61092.49
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 1357.01
ACD/KOC (pH 7.4): 938.55
Polar Surface Area: 121 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 509.7±5.0 cm3

Click to predict properties on the Chemicalize site


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