ChemSpider 2D Image | (3beta,5xi,17xi,24E)-3-Hydroxy-11-oxolanosta-8,24-dien-26-oic acid | C30H46O4

(3β,5ξ,17ξ,24E)-3-Hydroxy-11-oxolanosta-8,24-dien-26-oic acid

  • Molecular FormulaC30H46O4
  • Average mass470.684 Da
  • Monoisotopic mass470.339600 Da
  • ChemSpider ID78442391

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(3β,5ξ,17ξ,24E)-3-Hydroxy-11-oxolanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(3β,5ξ,17ξ,24E)-3-Hydroxy-11-oxolanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,17ξ,24E)-3-hydroxy-11-oxolanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 3-hydroxy-11-oxo-, (3β,5ξ,17ξ,24E)- [ACD/Index Name]
Resinacein 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: 603.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.0±6.0 kJ/mol
Flash Point: 332.8±28.0 °C
Index of Refraction: 1.553
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 10779.17
ACD/KOC (pH 5.5): 17930.94
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 186.31
ACD/KOC (pH 7.4): 309.92
Polar Surface Area: 75 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 422.7±5.0 cm3

Click to predict properties on the Chemicalize site


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