90341-45-0

Name seneciphyllinine
CAS 90341-45-0
Molecular Formula C20H25NO6
MDL Number MFCD20260711
Molecular Weight 375.42
MOL File 90341-45-0.mol
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Chemical Properties

Boiling point  585.3±50.0 °C(Predicted)
density  1.25±0.1 g/cm3(Predicted)
pka 5.79±0.40(Predicted)
InChI InChI=1S/C20H25NO6/c1-5-14-10-12(2)20(4,27-13(3)22)19(24)25-11-15-6-8-21-9-7-16(17(15)21)26-18(14)23/h5-6,16-17H,2,7-11H2,1,3-4H3/b14-5-/t16-,17-,20-/m1/s1
InChIKey CTCKXBIRQMSUIU-BYVYPXNKSA-N
SMILES N12CC=C3COC(=O)[C@@](OC(C)=O)(C)C(=C)C/C(=C/C)/C(=O)O[C@@]([H])([C@]13[H])CC2

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