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

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

  • Molecular FormulaC32H52O6
  • Average mass532.752 Da
  • Monoisotopic mass532.376404 Da
  • ChemSpider ID4476174

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(5ξ,8α,9β,11β,14β,23S,24S)-11,24,25-Trihydroxy-3-oxodammar-13(17)-en-23-yl acetate [ACD/IUPAC Name]
(5ξ,8α,9β,11β,14β,23S,24S)-11,24,25-Trihydroxy-3-oxodammar-13(17)-en-23-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5ξ,8α,9β,11β,14β,23S,24S)-11,24,25-trihydroxy-3-oxodammar-13(17)-én-23-yle [French] [ACD/IUPAC Name]
Dammar-13(17)-en-3-one, 23-(acetyloxy)-11,24,25-trihydroxy-, (5ξ,8α,9β,11β,14β,23S,24S)- [ACD/Index Name]
Alisol E 23-acetate

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: 5.04
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6517.04
ACD/KOC (pH 5.5): 18693.41
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6517.03
ACD/KOC (pH 7.4): 18693.41
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

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