Found 20 results

Search term: MF = 'C_{34}H_{52}O_{12}'
ChemSpider 2D Image | (2E,4E,6S,8R,10S,13S,14S,17R,18S,19R)-4-Ethyl-6,13,17-trihydroxy-19-{[(3R)-3-hydroxy-3-(4-methyl-2,5-dioxo-2,5-dihydro-3-furanyl)propanoyl]oxy}-8,10,14,18-tetramethyl-15-oxo-2,4-icosadienoic acid | C34H52O12

(2E,4E,6S,8R,10S,13S,14S,17R,18S,19R)-4-Ethyl-6,13,17-trihydroxy-19-{[(3R)-3-hydroxy-3-(4-methyl-2,5-dioxo-2,5-dihydro-3-furanyl)propanoyl]oxy}-8,10,14,18-tetramethyl-15-oxo-2,4-icosadienoic acid

  • Molecular FormulaC34H52O12
  • Average mass652.769 Da
  • Monoisotopic mass652.345886 Da
  • ChemSpider ID58907167

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2E,4E,6S,8R,10S,13S,14S,17R,18S,19R)-4-Ethyl-6,13,17-trihydroxy-19-{[(3R)-3-hydroxy-3-(4-methyl-2,5-dioxo-2,5-dihydro-3-furanyl)propanoyl]oxy}-8,10,14,18-tetramethyl-15-oxo-2,4-icosadienoic acid [ACD/IUPAC Name]
(2E,4E,6S,8R,10S,13S,14S,17R,18S,19R)-4-Ethyl-6,13,17-trihydroxy-19-{[(3R)-3-hydroxy-3-(4-methyl-2,5-dioxo-2,5-dihydro-3-furanyl)propanoyl]oxy}-8,10,14,18-tetramethyl-15-oxo-2,4-icosadiensäure [German] [ACD/IUPAC Name]
3-Furanpropanoic acid, 2,5-dihydro-β-hydroxy-4-methyl-2,5-dioxo-, (1R,2S,3R,6S,7S,10S,12R,14S,15E,17E)-18-carboxy-16-ethyl-3,7,14-trihydroxy-1,2,6,10,12-pentamethyl-5-oxo-15,17-octadecadien-1-yl es ter, (βR)- [ACD/Index Name]
Acide (2E,4E,6S,8R,10S,13S,14S,17R,18S,19R)-4-éthyl-6,13,17-trihydroxy-19-{[(3R)-3-hydroxy-3-(4-méthyl-2,5-dioxo-2,5-dihydro-3-furanyl)propanoyl]oxy}-8,10,14,18-tétraméthyl-15-oxo-2,4-icosadiénoïque [French] [ACD/IUPAC 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: 837.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.4±6.0 kJ/mol
Flash Point: 255.8±27.8 °C
Index of Refraction: 1.536
Molar Refractivity: 168.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 10.79
ACD/KOC (pH 5.5): 101.43
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.59
Polar Surface Area: 205 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 538.6±3.0 cm3

Click to predict properties on the Chemicalize site


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