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(+)-Ushinsunine-.beta.N-oxide
SpectraBase Compound ID LEcvVUhjNJ3
InChI InChI=1S/C18H17NO4/c1-19(21)7-6-10-8-13-18(23-9-22-13)15-11-4-2-3-5-12(11)17(20)16(19)14(10)15/h2-5,8,16-17,20H,6-7,9H2,1H3/t16-,17+,19-/m1/s1
InChIKey PQQSHMZUVWGXSV-ZIFCJYIRSA-N
Mol Weight 311.34 g/mol
Molecular Formula C18H17NO4
Exact Mass 311.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID a3jrsH1o7R
Name (+)-Ushinsunine-beta-N-oxide
Alternate Name(s) (7R,7aR,8S)-8-hydroxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]benzo[g]quinoline 7-oxide
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Formula C18H17NO4
InChI InChI=1S/C18H17NO4/c1-19(21)7-6-10-8-13-18(23-9-22-13)15-11-4-2-3-5-12(11)17(20)16(19)14(10)15/h2-5,8,16-17,20H,6-7,9H2,1H3/t16-,17+,19-/m1/s1
InChIKey PQQSHMZUVWGXSV-ZIFCJYIRSA-N
Molecular Weight 311.337 g/mol
SMILES O[C@@]1([C@@]2([N@@+](CCc3cc4c(c(c23)-c2c1cccc2)OCO4)([O-])C)[H])[H]
SPLASH splash10-0fb9-0290000000-8dd989acdd0cf63122ae
Source of Spectrum QA-46-609-1
Wiley ID 1795091