ChemSpider 2D Image | 8-acetoxyheterophyllisine | C24H35NO5

8-acetoxyheterophyllisine

  • Molecular FormulaC24H35NO5
  • Average mass417.538 Da
  • Monoisotopic mass417.251526 Da
  • ChemSpider ID28532922

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(2R,3S,6R,9R,10S,14R,17S,18R)-12-Ethyl-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icos-9-yl acetate [ACD/IUPAC Name]
(2R,3S,6R,9R,10S,14R,17S,18R)-12-Ethyl-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icos-9-yl-acetat [German] [ACD/IUPAC Name]
8-acetoxyheterophyllisine
Acétate de (2R,3S,6R,9R,10S,14R,17S,18R)-12-éthyl-17-méthoxy-14-méthyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icos-9-yle [French] [ACD/IUPAC Name]
  • Miscellaneous

    • Chemical Class:

      A diterpene alkaloid isolated from the roots of <ital>Delphinium denudatum</ital> that exhibits antifungal activity. ChEBI CHEBI:65367
      A diterpene alkaloid isolated from the roots of Delphinium denudatum that exhibits antifungal activity. ChEBI CHEBI:65367

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

Density: 1.3±0.1 g/cm3
Boiling Point: 529.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.1±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 110.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 4.16
ACD/KOC (pH 7.4): 51.62
Polar Surface Area: 65 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 333.4±5.0 cm3

Click to predict properties on the Chemicalize site


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