ChemSpider 2D Image | yl ester | C38H58O8

yl ester

  • Molecular FormulaC38H58O8
  • Average mass642.862 Da
  • Monoisotopic mass642.413147 Da
  • ChemSpider ID437817

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-Acetoxy-3-(acetoxymethyl)-7b-hydroxy-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl myristate [ACD/IUPAC Name]
(1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-Acetoxy-3-(acetoxymethyl)-7b-hydroxy-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-ylmyristat [German] [ACD/IUPAC Name]
Myristate de (1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-acétoxy-3-(acétoxyméthyl)-7b-hydroxy-1,1,6,8-tétraméthyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-décahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulén-9-yle [French] [ACD/IUPAC Name]
Tetradecanoic acid, (1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-(acetyloxy)-3-[(acetyloxy)methyl]-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-
Tetradecanoic acid, (1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-(acetyloxy)-3-[(acetyloxy)methyl]-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9- yl ester [ACD/Index Name]
yl ester
12-O-Tetradecanoyl(4-deoxy-4-α-phorbol) 13,20-diacetate
Tetradecanoic acid, (1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-(acetyloxy)-3-[(acetyloxy)methyl]-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester

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

AIDS161758 [DBID]
AIDS-161758 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 680.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.2±6.0 kJ/mol
Flash Point: 197.5±25.0 °C
Index of Refraction: 1.535
Molar Refractivity: 176.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 8.56
ACD/LogD (pH 5.5): 8.98
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1825900.00
ACD/LogD (pH 7.4): 8.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1825896.00
Polar Surface Area: 116 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 566.2±5.0 cm3

Click to predict properties on the Chemicalize site


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