ChemSpider 2D Image | 3-(Acetoxymethyl)-2,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1b,3,4,5,7a,7b,8,9-octahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulene-2,4a,9,9a(1aH,2H)-tetrayl tetraacetate | C30H40O13

3-(Acetoxymethyl)-2,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1b,3,4,5,7a,7b,8,9-octahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulene-2,4a,9,9a(1aH,2H)-tetrayl tetraacetate

  • Molecular FormulaC30H40O13
  • Average mass608.631 Da
  • Monoisotopic mass608.246887 Da
  • ChemSpider ID468680

More details:

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

(2,4a,9,9a-Tetrakis(acetyloxy)-2,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1b,3,4,5,7a,7b,8,9-octahydro-1H-cyclopropa[3,4]benzo[1,2-E]azulen-3(1ah,2H)-yl)methyl acetate
3-(Acetoxymethyl)-2,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1b,3,4,5,7a,7b,8,9-octahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-2,4a,9,9a(1aH,2H)-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
3-(Acetoxymethyl)-2,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1b,3,4,5,7a,7b,8,9-octahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulene-2,4a,9,9a(1aH,2H)-tetrayl tetraacetate [ACD/IUPAC Name]
5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 2,4a,9,9a-tetrakis(acetyloxy)-3-[(acetyloxy)methyl]-1,1a,1b,2,3,4,4a,7a,7b,8,9,9a-dodecahydro-2,7b-dihydroxy-1,1,6,8-tetramethyl- [ACD/Index Name]
Tetraacétate de 3-(acétoxyméthyl)-2,7b-dihydroxy-1,1,6,8-tétraméthyl-5-oxo-1b,3,4,5,7a,7b,8,9-octahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulène-2,4a,9,9a(1aH,2H)-tétrayle [French] [ACD/IUPAC Name]
5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 2,4a,9,9a-tetrakis(acetyloxy)-3,[(acetyloxy)methyl]-1,1a,1b,2,3,4,4a,7a,7b,8,9,9a-dodecahydro-2,7b-dihydroxy-1,1,6,8-tetramethyl-, [1aR-(1aα,1bβ,2α,3β,4aβ,7aα,7bα,8α,9β,9aα)]-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 644.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.9±6.0 kJ/mol
Flash Point: 198.5±25.0 °C
Index of Refraction: 1.560
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.98
ACD/KOC (pH 5.5): 296.89
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.97
ACD/KOC (pH 7.4): 296.78
Polar Surface Area: 189 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 448.0±5.0 cm3

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