ChemSpider 2D Image | (5xi,8alpha,9xi,11beta,14beta,20xi)-11-Hydroxy-3-oxo-24,25-epoxydammar-13(17)-en-23-yl acetate | C32H50O5

(5ξ,8α,9ξ,11β,14β,20ξ)-11-Hydroxy-3-oxo-24,25-epoxydammar-13(17)-en-23-yl acetate

  • Molecular FormulaC32H50O5
  • Average mass514.736 Da
  • Monoisotopic mass514.365845 Da
  • ChemSpider ID2341517
  • defined stereocentres - 4 of 9 defined stereocentres


More details:






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

(5ξ,8α,9ξ,11β,14β,20ξ)-11-Hydroxy-3-oxo-24,25-epoxydammar-13(17)-en-23-yl acetate [ACD/IUPAC Name]
(5ξ,8α,9ξ,11β,14β,20ξ)-11-Hydroxy-3-oxo-24,25-epoxydammar-13(17)-en-23-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5ξ,8α,9ξ,11β,14β,20ξ)-11-hydroxy-3-oxo-24,25-époxydammar-13(17)-én-23-yle [French] [ACD/IUPAC Name]
Dammar-13(17)-en-3-one, 23-(acetyloxy)-24,25-epoxy-11-hydroxy-, (5ξ,8α,9ξ,11β,14β,20ξ)- [ACD/Index Name]
(5?,8a,9?,11b,14b,20?)-11-Hydroxy-3-oxo-24,25-epoxydammar-13(17)-en-23-yl acetate
23-O-Acetylalisol B
26575-95-1 [RN]
26622-13-9 [RN]
8α,9β,14β-Dammar-13(17)-en-3-one, 24,25-epoxy-11β,23-dihydroxy-, 23-acetate, (23S,24R)-
Alisol B 23-acetate
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 590.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 179.9±23.6 °C
Index of Refraction: 1.542
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21598.45
ACD/KOC (pH 5.5): 44072.28
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21598.45
ACD/KOC (pH 7.4): 44072.28
Polar Surface Area: 76 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 459.2±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement