ChemSpider 2D Image | 3-(Acetoxymethyl)-7b-hydroxy-1,1,6,8-tetramethyl-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-5,9,9a-triyl triacetate | C28H38O9

3-(Acetoxymethyl)-7b-hydroxy-1,1,6,8-tetramethyl-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-5,9,9a-triyl triacetate

  • Molecular FormulaC28H38O9
  • Average mass518.596 Da
  • Monoisotopic mass518.251587 Da
  • ChemSpider ID468247

More details:

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

1H-Cyclopropa[3,4]benz[1,2-e]azulene-5,7b,9,9a-tetrol, 3-[(acetyloxy)methyl]-1a,1b,4,4a,5,7a,8,9-octahydro-1,1,6,8-tetramethyl-, 5,9,9a-triacetate [ACD/Index Name]
3-(Acetoxymethyl)-7b-hydroxy-1,1,6,8-tetramethyl-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-5,9,9a-triyl-triacetat [German] [ACD/IUPAC Name]
3-(Acetoxymethyl)-7b-hydroxy-1,1,6,8-tetramethyl-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-5,9,9a-triyl triacetate [ACD/IUPAC Name]
5,9a-Bis(acetyloxy)-3-[(acetyloxy)methyl]-7b-hydroxy-1,1,6,8-tetramethyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-E]azulen-9-yl acetate
Triacétate de 3-(acétoxyméthyl)-7b-hydroxy-1,1,6,8-tétraméthyl-1,1a,1b,4,4a,5,7a,7b,8,9-décahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulène-5,9,9a-triyle [French] [ACD/IUPAC Name]
1H-Cyclopropa[3,4]benz[1,2-e]azulene-5,7b,9,9a-tetrol, 3-[(acetyloxy)methyl]-1a,1b,4,4a,5,7a,8,9-octahydro-1,1,6,8-tetramethyl-, 5,9,9a-triacetate, [1aR-(1aα,1bβ,4aβ,5β,7aα,7bα,8α,9β,9aα)]-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 562.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.2±6.0 kJ/mol
Flash Point: 174.9±23.6 °C
Index of Refraction: 1.552
Molar Refractivity: 131.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 534.95
ACD/KOC (pH 5.5): 3122.69
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 534.95
ACD/KOC (pH 7.4): 3122.69
Polar Surface Area: 125 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 412.3±5.0 cm3

Click to predict properties on the Chemicalize site


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