ChemSpider 2D Image | (8alpha,9beta,11beta,14beta,20S,23S,24R)-11,23-Dihydroxy-24,25-epoxydammar-13(17)-en-3-one | C30H48O4

(8α,9β,11β,14β,20S,23S,24R)-11,23-Dihydroxy-24,25-epoxydammar-13(17)-en-3-one

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID58172175

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(8α,9β,11β,14β,20S,23S,24R)-11,23-Dihydroxy-24,25-epoxydammar-13(17)-en-3-on [German] [ACD/IUPAC Name]
(8α,9β,11β,14β,20S,23S,24R)-11,23-Dihydroxy-24,25-epoxydammar-13(17)-en-3-one [ACD/IUPAC Name]
(8α,9β,11β,14β,20S,23S,24R)-11,23-Dihydroxy-24,25-époxydammar-13(17)-én-3-one [French] [ACD/IUPAC Name]
Dammar-13(17)-en-3-one, 24,25-epoxy-11,23-dihydroxy-, (8α,9β,11β,14β,20S,23S,24R)- [ACD/Index Name]
Alisol B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 575.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.9±6.0 kJ/mol
Flash Point: 179.1±23.6 °C
Index of Refraction: 1.554
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12180.36
ACD/KOC (pH 5.5): 29248.53
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12180.36
ACD/KOC (pH 7.4): 29248.53
Polar Surface Area: 70 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 421.5±5.0 cm3

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