ChemSpider 2D Image | (4alpha,5alpha,25R)-4-Methyl-3,7,11-trioxoergosta-8,24(28)-dien-26-oic acid | C29H40O5

(4α,5α,25R)-4-Methyl-3,7,11-trioxoergosta-8,24(28)-dien-26-oic acid

  • Molecular FormulaC29H40O5
  • Average mass468.625 Da
  • Monoisotopic mass468.287567 Da
  • ChemSpider ID31129172

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4α,5α,25R)-4-Methyl-3,7,11-trioxoergosta-8,24(28)-dien-26-oic acid [ACD/IUPAC Name]
(4α,5α,25R)-4-Methyl-3,7,11-trioxoergosta-8,24(28)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (4α,5α,25R)-4-méthyl-3,7,11-trioxoergosta-8,24(28)-dién-26-oïque [French] [ACD/IUPAC Name]
Ergosta-8,24(28)-dien-26-oic acid, 4-methyl-3,7,11-trioxo-, (4α,5α,25R)- [ACD/Index Name]
Antcamphin J

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

Density: 1.2±0.1 g/cm3
Boiling Point: 626.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 101.3±6.0 kJ/mol
Flash Point: 346.9±28.0 °C
Index of Refraction: 1.550
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 148.51
ACD/KOC (pH 5.5): 666.36
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 2.33
ACD/KOC (pH 7.4): 10.47
Polar Surface Area: 89 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 405.3±5.0 cm3

Click to predict properties on the Chemicalize site


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