ChemSpider 2D Image | (3beta,24Z)-3,22,26-Trihydroxylanosta-8,24-dien-19-yl acetate | C32H52O5

(3β,24Z)-3,22,26-Trihydroxylanosta-8,24-dien-19-yl acetate

  • Molecular FormulaC32H52O5
  • Average mass516.752 Da
  • Monoisotopic mass516.381470 Da
  • ChemSpider ID8294187

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,24Z)-3,22,26-Trihydroxylanosta-8,24-dien-19-yl acetate [ACD/IUPAC Name]
(3β,24Z)-3,22,26-Trihydroxylanosta-8,24-dien-19-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,24Z)-3,22,26-trihydroxylanosta-8,24-dién-19-yle [French] [ACD/IUPAC Name]
Lanosta-8,24-diene-3,19,22,26-tetrol, 19-acetate, (3β,24Z)- [ACD/Index Name]
colossolactone A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL487868/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 628.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.5±6.0 kJ/mol
Flash Point: 192.5±25.0 °C
Index of Refraction: 1.552
Molar Refractivity: 147.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 53232.37
ACD/KOC (pH 5.5): 84057.92
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 53232.37
ACD/KOC (pH 7.4): 84057.92
Polar Surface Area: 87 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 461.9±5.0 cm3

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