ChemSpider 2D Image | (8alpha,9beta,11beta,14beta,16beta,23S,24R)-11,24,25-Trihydroxy-16,23-epoxydammar-13(17)-en-3-one | C30H48O5

(8α,9β,11β,14β,16β,23S,24R)-11,24,25-Trihydroxy-16,23-epoxydammar-13(17)-en-3-one

  • Molecular FormulaC30H48O5
  • Average mass488.699 Da
  • Monoisotopic mass488.350189 Da
  • ChemSpider ID31140488

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(8α,9β,11β,14β,16β,23S,24R)-11,24,25-Trihydroxy-16,23-epoxydammar-13(17)-en-3-on [German] [ACD/IUPAC Name]
(8α,9β,11β,14β,16β,23S,24R)-11,24,25-Trihydroxy-16,23-epoxydammar-13(17)-en-3-one [ACD/IUPAC Name]
(8α,9β,11β,14β,16β,23S,24R)-11,24,25-Trihydroxy-16,23-époxydammar-13(17)-én-3-one [French] [ACD/IUPAC Name]
155521-45-2 [RN]
Dammar-13(17)-en-3-one, 16,23-epoxy-11,24,25-trihydroxy-, (8α,9β,11β,14β,16β,23S,24R)- [ACD/Index Name]
Alisol F
alisolf
Alisol-F
Dammar-13(17)-en-3-one, 16,23-epoxy-11,24,25-trihydroxy-, (8α,9β,11β,14β,16β,23S,24R)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 617.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 105.0±6.0 kJ/mol
Flash Point: 194.6±25.0 °C
Index of Refraction: 1.565
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1566.33
ACD/KOC (pH 5.5): 6737.45
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1566.33
ACD/KOC (pH 7.4): 6737.44
Polar Surface Area: 87 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 419.4±5.0 cm3

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