ChemSpider 2D Image | Camphoratin E | C30H44O5

Camphoratin E

  • Molecular FormulaC30H44O5
  • Average mass484.667 Da
  • Monoisotopic mass484.318878 Da
  • ChemSpider ID26380806

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3α,4α,5α)-3-Hydroxy-4-méthyl-7,11-dioxoergosta-8,24(28)-dién-26-oate de méthyle [French] [ACD/IUPAC Name]
Camphoratin E
Ergosta-8,24(28)-dien-26-oic acid, 3-hydroxy-4-methyl-7,11-dioxo-, methyl ester, (3α,4α,5α)- [ACD/Index Name]
Methyl (3α,4α,5α)-3-hydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oate [ACD/IUPAC Name]
Methyl-(3α,4α,5α)-3-hydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oat [German] [ACD/IUPAC Name]
methyl 3α-hydroxy-7,11-dioxo-4α-methylergosta-8,24(28)-dien-26-oate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 592.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.4±6.0 kJ/mol
Flash Point: 185.2±23.6 °C
Index of Refraction: 1.540
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6612.88
ACD/KOC (pH 5.5): 18889.79
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6612.88
ACD/KOC (pH 7.4): 18889.79
Polar Surface Area: 81 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 431.2±5.0 cm3

Click to predict properties on the Chemicalize site


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