ChemSpider 2D Image | (1beta,3alpha,12beta,24R)-25-Hydroxy-20,24-epoxydammarane-1,3,12-triyl triacetate | C36H58O8

(1β,3α,12β,24R)-25-Hydroxy-20,24-epoxydammarane-1,3,12-triyl triacetate

  • Molecular FormulaC36H58O8
  • Average mass618.841 Da
  • Monoisotopic mass618.413147 Da
  • ChemSpider ID9574266

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1β,3α,12β,24R)-25-Hydroxy-20,24-epoxydammaran-1,3,12-triyl-triacetat [German] [ACD/IUPAC Name]
(1β,3α,12β,24R)-25-Hydroxy-20,24-epoxydammarane-1,3,12-triyl triacetate [ACD/IUPAC Name]
Dammarane-1,3,12,25-tetrol, 20,24-epoxy-, 1,3,12-triacetate, (1β,3α,12β,24R)- [ACD/Index Name]
Triacétate de (1β,3α,12β,24R)-25-hydroxy-20,24-époxydammarane-1,3,12-triyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL449541/
rel-(20S,24R)-epoxy-1β,3α,12β-triacetoxy-25-hydroxydammarane

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

Density: 1.1±0.1 g/cm3
Boiling Point: 624.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.0±6.0 kJ/mol
Flash Point: 180.5±25.0 °C
Index of Refraction: 1.531
Molar Refractivity: 167.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 6.77
ACD/BCF (pH 5.5): 82221.19
ACD/KOC (pH 5.5): 114742.76
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 82221.19
ACD/KOC (pH 7.4): 114742.76
Polar Surface Area: 108 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 540.6±5.0 cm3

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