ChemSpider 2D Image | (3beta,5xi,9xi,12beta,13xi,17xi,20R)-20,25-Epoxydammarane-3,12-diol | C30H52O3

(3β,5ξ,9ξ,12β,13ξ,17ξ,20R)-20,25-Epoxydammarane-3,12-diol

  • Molecular FormulaC30H52O3
  • Average mass460.732 Da
  • Monoisotopic mass460.391632 Da
  • ChemSpider ID23126066

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

(3β,5ξ,9ξ,12β,13ξ,17ξ,20R)-20,25-Epoxydammaran-3,12-diol [German] [ACD/IUPAC Name]
(3β,5ξ,9ξ,12β,13ξ,17ξ,20R)-20,25-Epoxydammarane-3,12-diol [ACD/IUPAC Name]
(3β,5ξ,9ξ,12β,13ξ,17ξ,20R)-20,25-Époxydammarane-3,12-diol [French] [ACD/IUPAC Name]
Dammarane-3,12-diol, 20,25-epoxy-, (3β,5ξ,9ξ,12β,13ξ,17ξ,20R)- [ACD/Index Name]
(3S,8R,10R,12R,14R)-4,4,8,10,14-Pentamethyl-17-((R)-2,6,6-trimethyl-tetrahydro-pyran-2-yl)-hexadecahydro-cyclopenta[a]phenanthrene-3,12-diol
CHEMBL282542

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

Density: 1.0±0.1 g/cm3
Boiling Point: 531.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.8±6.0 kJ/mol
Flash Point: 275.1±28.7 °C
Index of Refraction: 1.515
Molar Refractivity: 135.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.64
ACD/LogD (pH 5.5): 6.94
ACD/BCF (pH 5.5): 111454.40
ACD/KOC (pH 5.5): 142656.20
ACD/LogD (pH 7.4): 6.94
ACD/BCF (pH 7.4): 111454.40
ACD/KOC (pH 7.4): 142656.20
Polar Surface Area: 50 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 449.3±3.0 cm3

Click to predict properties on the Chemicalize site


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