ChemSpider 2D Image | Ethyl 4-[(1R,4R,5R,8R,10S,13R,14R,17R,18R,19R,23R)-10-acetoxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.0~1,18~.0~4,17~.0~5,14~.0~8,13~]tetracos-23-yl]-3-oxobutanoate | C38H60O6

Ethyl 4-[(1R,4R,5R,8R,10S,13R,14R,17R,18R,19R,23R)-10-acetoxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracos-23-yl]-3-oxobutanoate

  • Molecular FormulaC38H60O6
  • Average mass612.879 Da
  • Monoisotopic mass612.438965 Da
  • ChemSpider ID24643636

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

4-[(1R,4R,5R,8R,10S,13R,14R,17R,18R,19R,23R)-10-Acétoxy-4,5,9,9,13,20,20-heptaméthyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tétracos-23-yl]-3-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[(1R,4R,5R,8R,10S,13R,14R,17R,18R,19R,23R)-10-acetoxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracos-23-yl]-3-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-[(1R,4R,5R,8R,10S,13R,14R,17R,18R,19R,23R)-10-acetoxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracos-23-yl]-3-oxobutanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 631.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 255.8±23.2 °C
Index of Refraction: 1.535
Molar Refractivity: 171.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.38
ACD/LogD (pH 5.5): 9.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3863045.25
ACD/LogD (pH 7.4): 9.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3859289.25
Polar Surface Area: 79 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 550.2±5.0 cm3

Click to predict properties on the Chemicalize site


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