ChemSpider 2D Image | (3beta,5xi,6alpha,9xi,12beta,13xi,17xi)-20,25-Epoxydammarane-3,6,12-triol | C30H52O4

(3β,5ξ,6α,9ξ,12β,13ξ,17ξ)-20,25-Epoxydammarane-3,6,12-triol

  • Molecular FormulaC30H52O4
  • Average mass476.732 Da
  • Monoisotopic mass476.386566 Da
  • ChemSpider ID23126501

  • defined stereocentres - 7 of 11 defined stereocentres

More details:

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

(3β,5ξ,6α,9ξ,12β,13ξ,17ξ)-20,25-Epoxydammaran-3,6,12-triol [German] [ACD/IUPAC Name]
(3β,5ξ,6α,9ξ,12β,13ξ,17ξ)-20,25-Epoxydammarane-3,6,12-triol [ACD/IUPAC Name]
(3β,5ξ,6α,9ξ,12β,13ξ,17ξ)-20,25-Époxydammarane-3,6,12-triol [French] [ACD/IUPAC Name]
Dammarane-3,6,12-triol, 20,25-epoxy-, (3β,5ξ,6α,9ξ,12β,13ξ,17ξ)- [ACD/Index Name]
(3S,6S,8R,10R,12R,14R)-4,4,8,10,14-Pentamethyl-17-((S)-2,6,6-trimethyl-tetrahydro-pyran-2-yl)-hexadecahydro-cyclopenta[a]phenanthrene-3,6,12-triol
CHEMBL29084

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

Density: 1.1±0.1 g/cm3
Boiling Point: 561.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.0±6.0 kJ/mol
Flash Point: 293.4±30.1 °C
Index of Refraction: 1.527
Molar Refractivity: 137.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6706.68
ACD/KOC (pH 5.5): 19081.18
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6706.68
ACD/KOC (pH 7.4): 19081.18
Polar Surface Area: 70 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 446.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement