ChemSpider 2D Image | (8alpha,9beta,11beta,14beta,23S)-11-Hydroxy-3,24-dioxodammar-13(17)-en-23-yl acetate | C32H50O5

(8α,9β,11β,14β,23S)-11-Hydroxy-3,24-dioxodammar-13(17)-en-23-yl acetate

  • Molecular FormulaC32H50O5
  • Average mass514.736 Da
  • Monoisotopic mass514.365845 Da
  • ChemSpider ID62785762

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(8α,9β,11β,14β,23S)-11-Hydroxy-3,24-dioxodammar-13(17)-en-23-yl acetate [ACD/IUPAC Name]
(8α,9β,11β,14β,23S)-11-Hydroxy-3,24-dioxodammar-13(17)-en-23-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (8α,9β,11β,14β,23S)-11-hydroxy-3,24-dioxodammar-13(17)-én-23-yle [French] [ACD/IUPAC Name]
Dammar-13(17)-ene-3,24-dione, 23-(acetyloxy)-11-hydroxy-, (8α,9β,11β,14β,23S)- [ACD/Index Name]
19865-76-0 [RN]
Alisol Acetate B
Alisol B acetate
Ex Alismatis Rhizoma

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

Density: 1.1±0.1 g/cm3
Boiling Point: 601.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.7±6.0 kJ/mol
Flash Point: 183.1±25.0 °C
Index of Refraction: 1.531
Molar Refractivity: 145.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.88
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 37891.21
ACD/KOC (pH 5.5): 65902.45
ACD/LogD (pH 7.4): 6.33
ACD/BCF (pH 7.4): 37891.21
ACD/KOC (pH 7.4): 65902.45
Polar Surface Area: 81 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 468.4±5.0 cm3

Click to predict properties on the Chemicalize site


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