ChemSpider 2D Image | Camphoratin F | C30H44O5

Camphoratin F

  • Molecular FormulaC30H44O5
  • Average mass484.667 Da
  • Monoisotopic mass484.318878 Da
  • ChemSpider ID26379530

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(4α,5α,7β)-7-Hydroxy-4-méthyl-3,11-dioxoergosta-8,24(28)-dién-26-oate de méthyle [French] [ACD/IUPAC Name]
Camphoratin F
Ergosta-8,24(28)-dien-26-oic acid, 7-hydroxy-4-methyl-3,11-dioxo-, methyl ester, (4α,5α,7β)- [ACD/Index Name]
Methyl (4α,5α,7β)-7-hydroxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oate [ACD/IUPAC Name]
Methyl-(4α,5α,7β)-7-hydroxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oat [German] [ACD/IUPAC Name]
methyl 7β-hydroxy-3,11-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: 604.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.2±6.0 kJ/mol
Flash Point: 190.1±25.0 °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: 5.01
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2542.14
ACD/KOC (pH 5.5): 9528.77
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2542.13
ACD/KOC (pH 7.4): 9528.76
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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