ChemSpider 2D Image | 2-[(4aS,5S,6aS,6bS,9aS,10aS,10bS,12S)-4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoeth
yl 3,3-dimethylbutanoate | C30H40F2O7

2-[(4aS,5S,6aS,6bS,9aS,10aS,10bS,12S)-4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoeth yl 3,3-dimethylbutanoate

  • Molecular FormulaC30H40F2O7
  • Average mass550.631 Da
  • Monoisotopic mass550.274231 Da
  • ChemSpider ID168165
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






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

2-[(4aS,5S,6aS,6bS,9aS,10aS,10bS,12S)-4b,12-Difluor-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethy l-3,3-dimethylbutanoat [German] [ACD/IUPAC Name]
2-[(4aS,5S,6aS,6bS,9aS,10aS,10bS,12S)-4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoeth yl 3,3-dimethylbutanoate [ACD/IUPAC Name]
3,3-Diméthylbutanoate de 2-[(4aS,5S,6aS,6bS,9aS,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tétraméthyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodécahydro-6bH-naphto[2',1':4,5]indéno[1,2-d][1, 3]dioxol-6b-yl]-2-oxoéthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3,3-dimethyl-, 2-[(4aS,5S,6aS,6bS,9aS,10aS,10bS,12S)-4b,12-difluoro-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-6bH-naphth[2',1':4,5]indeno[1,2- d][1,3]dioxol-6b-yl]-2-oxoethyl ester [ACD/Index Name]
[2-[(1S,2S,4S,8S,9S,11S,13S,19S)-12,19-Difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3,3-dimethylbutanoate
38965-31-0 [RN]
Butecort
Fluocinolone acetonide t-butylacetic ester
Pregna-1,4-diene-3,20-dione, 21-(3,3-dimethyl-1-oxobutoxy)-6,9-difluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (6α,11β,16α)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 621.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.5±6.0 kJ/mol
Flash Point: 329.5±31.5 °C
Index of Refraction: 1.549
Molar Refractivity: 137.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1148.58
ACD/KOC (pH 5.5): 5395.89
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1148.58
ACD/KOC (pH 7.4): 5395.87
Polar Surface Area: 99 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 432.8±5.0 cm3

Click to predict properties on the Chemicalize site






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