ChemSpider 2D Image | methyl antcinate A | C30H44O4

methyl antcinate A

  • Molecular FormulaC30H44O4
  • Average mass468.668 Da
  • Monoisotopic mass468.323975 Da
  • ChemSpider ID26364485

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(4α,5α)-4-Méthyl-3,11-dioxoergosta-8,24(28)-dién-26-oate de méthyle [French] [ACD/IUPAC Name]
169477-80-9 [RN]
Ergosta-8,24(28)-dien-26-oic acid, 4-methyl-3,11-dioxo-, methyl ester, (4α,5α)- [ACD/Index Name]
Methyl (4α,5α)-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oate [ACD/IUPAC Name]
methyl 4α-methylergost-8,24(28)-diene-3,11-dion-26-oate
methyl antcinate A
Methyl-(4α,5α)-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oat [German] [ACD/IUPAC Name]
METHYLANTCINATE A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 570.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 239.4±30.2 °C
Index of Refraction: 1.530
Molar Refractivity: 133.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21543.48
ACD/KOC (pH 5.5): 43991.98
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21543.48
ACD/KOC (pH 7.4): 43991.98
Polar Surface Area: 60 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 433.3±5.0 cm3

Click to predict properties on the Chemicalize site


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