ChemSpider 2D Image | Methyl (6beta,10alpha)-6-bromo-7-oxoabieta-8,11,13-trien-18-oate | C21H27BrO3

Methyl (6β,10α)-6-bromo-7-oxoabieta-8,11,13-trien-18-oate

  • Molecular FormulaC21H27BrO3
  • Average mass407.341 Da
  • Monoisotopic mass406.114349 Da
  • ChemSpider ID62446011

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5β,6β,10α)-6-Bromo-7-oxoabiéta-8(14),9(11),12-trién-18-oate de méthyle [French] [ACD/IUPAC Name]
(6β,10α)-6-Bromo-7-oxoabiéta-8,11,13-trién-18-oate de méthyle [French] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 10-bromo-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-9-oxo-, methyl ester, (1R,4aR,10S,10aS)- [ACD/Index Name]
1-Phenanthrenecarboxylic acid, 10-bromo-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-9-oxo-, methyl ester, (4aR,10S,10aS)- [ACD/Index Name]
Methyl (5β,6β,10α)-6-bromo-7-oxoabieta-8(14),9(11),12-trien-18-oate [ACD/IUPAC Name]
Methyl (6β,10α)-6-bromo-7-oxoabieta-8,11,13-trien-18-oate [ACD/IUPAC Name]
Methyl-(5β,6β,10α)-6-brom-7-oxoabieta-8(14),9(11),12-trien-18-oat [German] [ACD/IUPAC Name]
Methyl-(6β,10α)-6-brom-7-oxoabieta-8,11,13-trien-18-oat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 468.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.2±28.7 °C
Index of Refraction: 1.549
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 24564.61
ACD/KOC (pH 5.5): 48324.66
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 24564.61
ACD/KOC (pH 7.4): 48324.66
Polar Surface Area: 43 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 320.0±3.0 cm3

Click to predict properties on the Chemicalize site


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