ChemSpider 2D Image | (5xi,8alpha,9xi,11beta,14beta,23S,24R)-11,23,25-Trihydroxy-3-oxodammar-13(17)-en-24-yl acetate | C32H52O6

(5ξ,8α,9ξ,11β,14β,23S,24R)-11,23,25-Trihydroxy-3-oxodammar-13(17)-en-24-yl acetate

  • Molecular FormulaC32H52O6
  • Average mass532.752 Da
  • Monoisotopic mass532.376404 Da
  • ChemSpider ID8251297

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(5ξ,8α,9ξ,11β,14β,23S,24R)-11,23,25-Trihydroxy-3-oxodammar-13(17)-en-24-yl acetate [ACD/IUPAC Name]
(5ξ,8α,9ξ,11β,14β,23S,24R)-11,23,25-Trihydroxy-3-oxodammar-13(17)-en-24-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5ξ,8α,9ξ,11β,14β,23S,24R)-11,23,25-trihydroxy-3-oxodammar-13(17)-én-24-yle [French] [ACD/IUPAC Name]
Dammar-13(17)-en-3-one, 24-(acetyloxy)-11,23,25-trihydroxy-, (5ξ,8α,9ξ,11β,14β,23S,24R)- [ACD/Index Name]
Acetic acid (1R,2S,4R)-2-hydroxy-1-(1-hydroxy-1-methyl-ethyl)-4-((8S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-pentyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL421397/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 641.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.4±6.0 kJ/mol
Flash Point: 196.5±25.0 °C
Index of Refraction: 1.547
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10546.70
ACD/KOC (pH 5.5): 26383.73
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10546.70
ACD/KOC (pH 7.4): 26383.73
Polar Surface Area: 104 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 466.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement