ChemSpider 2D Image | (8alpha,9beta,11beta,14beta,23S,24R)-25-Hydroxy-3-oxodammar-13(17)-ene-11,23,24-triyl triacetate | C36H56O8

(8α,9β,11β,14β,23S,24R)-25-Hydroxy-3-oxodammar-13(17)-ene-11,23,24-triyl triacetate

  • Molecular FormulaC36H56O8
  • Average mass616.825 Da
  • Monoisotopic mass616.397522 Da
  • ChemSpider ID24687750

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(8α,9β,11β,14β,23S,24R)-25-Hydroxy-3-oxodammar-13(17)-en-11,23,24-triyl-triacetat [German] [ACD/IUPAC Name]
(8α,9β,11β,14β,23S,24R)-25-Hydroxy-3-oxodammar-13(17)-ene-11,23,24-triyl triacetate [ACD/IUPAC Name]
Dammar-13(17)-en-3-one, 11,23,24-tris(acetyloxy)-25-hydroxy-, (8α,9β,11β,14β,23S,24R)- [ACD/Index Name]
Triacétate de (8α,9β,11β,14β,23S,24R)-25-hydroxy-3-oxodammar-13(17)-ène-11,23,24-triyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL449488/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 644.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.9±6.0 kJ/mol
Flash Point: 187.6±25.0 °C
Index of Refraction: 1.529
Molar Refractivity: 167.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 6.77
ACD/BCF (pH 5.5): 82608.66
ACD/KOC (pH 5.5): 115129.55
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 82608.66
ACD/KOC (pH 7.4): 115129.55
Polar Surface Area: 116 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 541.6±5.0 cm3

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