ChemSpider 2D Image | Methyl (3beta,5xi)-3-hydroxy-7,11,15,23-tetraoxolanosta-8,16-dien-26-oate | C31H42O7

Methyl (3β,5ξ)-3-hydroxy-7,11,15,23-tetraoxolanosta-8,16-dien-26-oate

  • Molecular FormulaC31H42O7
  • Average mass526.661 Da
  • Monoisotopic mass526.293030 Da
  • ChemSpider ID78442396

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(3β,5ξ)-3-Hydroxy-7,11,15,23-tétraoxolanosta-8,16-dién-26-oate de méthyle [French] [ACD/IUPAC Name]
Lanosta-8,16-dien-26-oic acid, 3-hydroxy-7,11,15,23-tetraoxo-, methyl ester, (3β,5ξ)- [ACD/Index Name]
Methyl (3β,5ξ)-3-hydroxy-7,11,15,23-tetraoxolanosta-8,16-dien-26-oate [ACD/IUPAC Name]
Methyl-(3β,5ξ)-3-hydroxy-7,11,15,23-tetraoxolanosta-8,16-dien-26-oat [German] [ACD/IUPAC Name]
Resinacein F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±6.0 kJ/mol
Flash Point: 209.1±25.0 °C
Index of Refraction: 1.554
Molar Refractivity: 140.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 268.27
ACD/KOC (pH 5.5): 1905.36
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 268.27
ACD/KOC (pH 7.4): 1905.36
Polar Surface Area: 115 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 437.8±5.0 cm3

Click to predict properties on the Chemicalize site


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