Found 18 results

Search term: MF = 'C_{39}H_{60}O_{8}'
ChemSpider 2D Image | (8alpha,9beta,11beta,14beta,17alpha,23S,24S)-3-Oxo-13,17-epoxydammar-25-ene-11,23,24-triyl tripropanoate | C39H60O8

(8α,9β,11β,14β,17α,23S,24S)-3-Oxo-13,17-epoxydammar-25-ene-11,23,24-triyl tripropanoate

  • Molecular FormulaC39H60O8
  • Average mass656.889 Da
  • Monoisotopic mass656.428833 Da
  • ChemSpider ID24710363

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(8α,9β,11β,14β,17α,23S,24S)-3-Oxo-13,17-epoxydammar-25-en-11,23,24-triyl-tripropanoat [German] [ACD/IUPAC Name]
(8α,9β,11β,14β,17α,23S,24S)-3-Oxo-13,17-epoxydammar-25-ene-11,23,24-triyl tripropanoate [ACD/IUPAC Name]
Dammar-25-en-3-one, 13,17-epoxy-11,23,24-tris(1-oxopropoxy)-, (8α,9β,11β,14β,17α,23S,24S)- [ACD/Index Name]
Tripropanoate de (8α,9β,11β,14β,17α,23S,24S)-3-oxo-13,17-époxydammar-25-ène-11,23,24-triyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL504405/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 666.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 267.9±31.5 °C
Index of Refraction: 1.528
Molar Refractivity: 179.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 7.10
ACD/BCF (pH 5.5): 147007.44
ACD/KOC (pH 5.5): 173923.72
ACD/LogD (pH 7.4): 7.10
ACD/BCF (pH 7.4): 147007.44
ACD/KOC (pH 7.4): 173923.72
Polar Surface Area: 109 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 582.2±5.0 cm3

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