Found 22 results

Search term: MF = 'C_{43}H_{66}O_{11}'
ChemSpider 2D Image | 4-{[(3beta,5xi,16beta,18xi,21beta,22alpha)-28-Acetoxy-16,22,23-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl]oxy}-2,2-dimethyl-4-oxobutanoic acid | C43H66O11

4-{[(3β,5ξ,16β,18ξ,21β,22α)-28-Acetoxy-16,22,23-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl]oxy}-2,2-dimethyl-4-oxobutanoic acid

  • Molecular FormulaC43H66O11
  • Average mass758.977 Da
  • Monoisotopic mass758.460510 Da
  • ChemSpider ID9380050

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 12 defined stereocentres

More details:

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

4-{[(3β,5ξ,16β,18ξ,21β,22α)-28-Acetoxy-16,22,23-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl]oxy}-2,2-dimethyl-4-oxobutanoic acid [ACD/IUPAC Name]
4-{[(3β,5ξ,16β,18ξ,21β,22α)-28-Acetoxy-16,22,23-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl]oxy}-2,2-dimethyl-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{[(3β,5ξ,16β,18ξ,21β,22α)-28-acétoxy-16,22,23-trihydroxy-21-{[(2E)-2-méthyl-2-butenoyl]oxy}oléan-12-én-3-yl]oxy}-2,2-diméthyl-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, 2,2-dimethyl-, 4-[(3β,5ξ,16β,18ξ,21β,22α)-28-(acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl] ester [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: 795.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±6.0 kJ/mol
Flash Point: 227.6±26.4 °C
Index of Refraction: 1.564
Molar Refractivity: 202.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 7.97
ACD/LogD (pH 5.5): 6.72
ACD/BCF (pH 5.5): 41892.21
ACD/KOC (pH 5.5): 35485.05
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 660.98
ACD/KOC (pH 7.4): 559.89
Polar Surface Area: 177 Å2
Polarizability: 80.1±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 621.1±5.0 cm3

Click to predict properties on the Chemicalize site


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