ChemSpider 2D Image | 2a-(Acetoxymethyl)-6b-hydroxy-3a-methoxy-1,1,5,7-tetramethyl-4-oxo-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-8aH-cyclopropa[5',6']benzo[1',2':7,8]azuleno[5,6-b]oxirene-8,8a-diyl diacetate | C27H36O10

2a-(Acetoxymethyl)-6b-hydroxy-3a-methoxy-1,1,5,7-tetramethyl-4-oxo-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-8aH-cyclopropa[5',6']benzo[1',2':7,8]azuleno[5,6-b]oxirene-8,8a-diyl diacetate

  • Molecular FormulaC27H36O10
  • Average mass520.569 Da
  • Monoisotopic mass520.230835 Da
  • ChemSpider ID468677

More details:

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

2a-(Acetoxymethyl)-6b-hydroxy-3a-methoxy-1,1,5,7-tetramethyl-4-oxo-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-8aH-cyclopropa[5',6']benzo[1',2':7,8]azuleno[5,6-b]oxiren-8,8a-diyl-diacetat [German] [ACD/IUPAC Name]
2a-(Acetoxymethyl)-6b-hydroxy-3a-methoxy-1,1,5,7-tetramethyl-4-oxo-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-8aH-cyclopropa[5',6']benzo[1',2':7,8]azuleno[5,6-b]oxirene-8,8a-diyl diacetate [ACD/IUPAC Name]
4H-Cyclopropa[5',6']benz[1',2':7,8]azuleno[5,6-b]oxiren-4-one, 8,8a-bis(acetyloxy)-2a-[(acetyloxy)methyl]-1,1a,1b,1c,2a,3,3a,6a,6b,7,8,8a-dodecahydro-6b-hydroxy-3a-methoxy-1,1,5,7-tetramethyl- [ACD/Index Name]
8a-(Acetyloxy)-2a-[(acetyloxy)methyl]-6b-hydroxy-3a-methoxy-1,1,5,7-tetramethyl-4-oxo-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-8ah-cyclopropa[5',6']benzo[1',2':7,8]azuleno[5,6-b]oxiren-8-yl acetate
8a-(Acetyloxy)-2a-[(acetyloxy)methyl]-6b-hydroxy-3a-methoxy-1,1,5,7-tetramethyl-4-oxo-1,1a,1b,1c,3,3a,4,6a,6b,7,8,8a-dodecahydro-2ah-cyclopropa[5',6']benzo[1',2':7,8]azuleno[5,6-b]oxiren-8-yl acetate
Diacétate de 2a-(acétoxyméthyl)-6b-hydroxy-3a-méthoxy-1,1,5,7-tétraméthyl-4-oxo-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodécahydro-8aH-cyclopropa[5',6']benzo[1',2':7,8]azuléno[5,6-b]oxirène-8,8a-diyle [French] [ACD/IUPAC Name]
4H-Cyclopropa[5',6']benz[1',2':7,8]azuleno[5,6]oxiren-4-one, 8,8a-bis(acetyloxy)-2a-[(acetyloxy)methyl]-1,1a,1b,1c,2a,3,3a,6a,6b,7,8,8a-dodecahydro-6b-hydroxy-3a-methoxy-1,1,5,7-tetramethyl-, [1aR-(1aα,1bβ,1cβ,2aβ,3aα,6aα,6bα,7α,8β,8aα)]-
4H-Cyclopropa[5',6']benz[1',2':7,8]azuleno[5,6-b]oxiren-4-one, 8,8a-bis(acetyloxy)-2a-[(acetyloxy)methyl]-1,1a,1b,1c,2a,3,3a,6a,6b,7,8,8a-dodecahydro-6b-hydroxy-3a-methoxy-1,1,5,7-tetramethyl-, [1aR-(1aα,1bβ,1cα,2aα,3aα,6aα,6bα,7α,8β,8aα)]-
4H-Cyclopropa[5',6']benz[1',2':7,8]azuleno[5,6-b]oxiren-4-one, 8,8a-bis(acetyloxy)-2a-[(acetyloxy)methyl]-1,1a,1b,1c,2a,3,3a,6a,6b,7,8,8a-dodecahydro-6b-hydroxy-3a-methoxy-1,1,5,7-tetramethyl-, [1aR-(1aα,1bβ,1cα,2aα,3aβ,6aα,6bα,7α,8β,8aα)]-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 101.0±6.0 kJ/mol
Flash Point: 188.4±23.6 °C
Index of Refraction: 1.565
Molar Refractivity: 127.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.61
ACD/KOC (pH 5.5): 248.76
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.61
ACD/KOC (pH 7.4): 248.76
Polar Surface Area: 138 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 390.4±5.0 cm3

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