ChemSpider 2D Image | (3beta,5xi,9xi,13xi)-24-Hydroperoxydammar-25-ene-3,20-diol | C30H52O4

(3β,5ξ,9ξ,13ξ)-24-Hydroperoxydammar-25-ene-3,20-diol

  • Molecular FormulaC30H52O4
  • Average mass476.732 Da
  • Monoisotopic mass476.386566 Da
  • ChemSpider ID28283137

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3β,5ξ,9ξ,13ξ)-24-Hydroperoxydammar-25-en-3,20-diol [German] [ACD/IUPAC Name]
(3β,5ξ,9ξ,13ξ)-24-Hydroperoxydammar-25-ene-3,20-diol [ACD/IUPAC Name]
(3β,5ξ,9ξ,13ξ)-24-Hydroperoxydammar-25-ène-3,20-diol [French] [ACD/IUPAC Name]
Dammar-25-ene-3,20-diol, 24-hydroperoxy-, (3β,5ξ,9ξ,13ξ)- [ACD/Index Name]
cereotagaloperoxide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 584.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 307.3±28.7 °C
Index of Refraction: 1.523
Molar Refractivity: 138.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.57
ACD/LogD (pH 5.5): 7.72
ACD/BCF (pH 5.5): 436220.09
ACD/KOC (pH 5.5): 378855.47
ACD/LogD (pH 7.4): 7.72
ACD/BCF (pH 7.4): 436168.38
ACD/KOC (pH 7.4): 378810.56
Polar Surface Area: 70 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 453.2±3.0 cm3

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