ChemSpider 2D Image | 9a-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,2,3,4,4a,5,7a,7b,8,9,9a-dodecahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl myristate | C36H58O8

9a-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,2,3,4,4a,5,7a,7b,8,9,9a-dodecahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl myristate

  • Molecular FormulaC36H58O8
  • Average mass618.841 Da
  • Monoisotopic mass618.413147 Da
  • ChemSpider ID171811

More details:

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

9a-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,2,3,4,4a,5,7a,7b,8,9,9a-dodecahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl myristate [ACD/IUPAC Name]
9a-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,2,3,4,4a,5,7a,7b,8,9,9a-dodecahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-ylmyristat [German] [ACD/IUPAC Name]
Myristate de 9a-acétoxy-4a,7b-dihydroxy-3-(hydroxyméthyl)-1,1,6,8-tétraméthyl-5-oxo-1a,1b,2,3,4,4a,5,7a,7b,8,9,9a-dodécahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulén-9-yle [French] [ACD/IUPAC Name]
Tetradecanoic acid, 9a-(acetyloxy)-1a,1b,2,3,4,4a,5,7a,7b,8,9,9a-dodecahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester [ACD/Index Name]
2,3-Dihydrophorbol myristate acetate
5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-β,1b-α,2,3,4,4a,7a-β,7b,8,9,9a-dodecahydro-4a-α,7b-β,9-α,9a-β-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-β-tetramethyl-, 9a-acetate 9-myristate
66731-42-8 [RN]
Phorbol, 2,3-dihydro-, acetate myristate
Tetradecanoic acid, 9a-(acetyloxy)-1a,1b,2,3,4,4a,5,7a,7b,8,9,9a-dodecahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 690.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.7±6.0 kJ/mol
Flash Point: 204.5±25.0 °C
Index of Refraction: 1.545
Molar Refractivity: 168.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 7.53
ACD/BCF (pH 5.5): 311195.22
ACD/KOC (pH 5.5): 297499.63
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 311176.09
ACD/KOC (pH 7.4): 297481.34
Polar Surface Area: 130 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 533.1±5.0 cm3

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