ChemSpider 2D Image | Picrinine | C20H22N2O3

Picrinine

  • Molecular FormulaC20H22N2O3
  • Average mass338.400 Da
  • Monoisotopic mass338.163055 Da
  • ChemSpider ID24534089

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2α,5α,19E)-1,2-Dihydro-2,5-époxyakuammilan-17-oate de méthyle [French] [ACD/IUPAC Name]
2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester, (2R,3E,6S,7aR,12aR,12bS,14R)- [ACD/Index Name]
4684-32-6 [RN]
Methyl (2α,5α,19E)-1,2-dihydro-2,5-epoxyakuammilan-17-oate [ACD/IUPAC Name]
Methyl-(2α,5α,19E)-1,2-dihydro-2,5-epoxyakuammilan-17-oat [German] [ACD/IUPAC Name]
Picrinine [Wiki]
16-de[(acetyloxy)methyl]picraline
2α,5α-epoxy-1,2-dihydroakuammilan-17-oic acid methyl ester
deacetyldeformopicraline
Methyl(2α,5α,19E)-1,2-dihydro-2,5-epoxyakuammilan-17-oate
  • Miscellaneous

    • Chemical Class:

      A natural product with formula C20H22N2O3 that is the member of the akuammiline family of alkaloids, first isolated in 1965 from the leaves of Alstonia scholaris. ChEBI CHEBI:70505

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

Density: 1.4±0.1 g/cm3
Boiling Point: 501.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.9±30.1 °C
Index of Refraction: 1.677
Molar Refractivity: 92.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 48.37
ACD/KOC (pH 5.5): 542.34
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.72
ACD/KOC (pH 7.4): 602.41
Polar Surface Area: 51 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 244.5±5.0 cm3

Click to predict properties on the Chemicalize site


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