ChemSpider 2D Image | 3-(Acetoxymethyl)-4,4a,7b-trihydroxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl diacetate | C26H34O10

3-(Acetoxymethyl)-4,4a,7b-trihydroxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl diacetate

  • Molecular FormulaC26H34O10
  • Average mass506.542 Da
  • Monoisotopic mass506.215210 Da
  • ChemSpider ID468684

More details:






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

3-(Acetoxymethyl)-4,4a,7b-trihydroxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9,9a-diyl-diacetat [German] [ACD/IUPAC Name]
3-(Acetoxymethyl)-4,4a,7b-trihydroxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl diacetate [ACD/IUPAC Name]
5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 9,9a-bis(acetyloxy)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4,4a,7b-trihydroxy-1,1,6,8-tetramethyl- [ACD/Index Name]
9a-(Acetyloxy)-3-[(acetyloxy)methyl]-4,4a,7b-trihydroxy-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 acetate
Diacétate de 3-(acétoxyméthyl)-4,4a,7b-trihydroxy-1,1,6,8-tétraméthyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-décahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulène-9,9a-diyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 610.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.9±6.0 kJ/mol
Flash Point: 198.0±25.0 °C
Index of Refraction: 1.587
Molar Refractivity: 123.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.39
ACD/KOC (pH 5.5): 342.41
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.37
ACD/KOC (pH 7.4): 342.23
Polar Surface Area: 157 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 368.4±5.0 cm3

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