ChemSpider 2D Image | 3-(Acetoxymethyl)-4a,7b-dihydroxy-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 | C28H38O10

3-(Acetoxymethyl)-4a,7b-dihydroxy-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 FormulaC28H38O10
  • Average mass534.595 Da
  • Monoisotopic mass534.246521 Da
  • ChemSpider ID468679

More details:

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

1H-Cyclopropa[3,4]benz[1,2-e]azulene-4a,5,7b,9,9a(1aH)-pentol, 3-[(acetyloxy)methyl]-1b,4,5,7a,8,9-hexahydro-1,1,6,8-tetramethyl-, 5,9,9a-triacetate [ACD/Index Name]
3-(Acetoxymethyl)-4a,7b-dihydroxy-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)-4a,7b-dihydroxy-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]-4a,7b-dihydroxy-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)-4a,7b-dihydroxy-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-4a,5,7b,9,9a(1aH)-pentol, 3-[(acetyloxy)methyl]-1b,4,5,7a,8,9-hexahydro-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: 587.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.6±6.0 kJ/mol
Flash Point: 183.6±23.6 °C
Index of Refraction: 1.565
Molar Refractivity: 133.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.77
ACD/KOC (pH 5.5): 918.34
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.77
ACD/KOC (pH 7.4): 918.33
Polar Surface Area: 146 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 409.3±5.0 cm3

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