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Roxiamine A

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Roxiamine A
SpectraBase Compound ID 8x9x8V3oLC6
InChI InChI=1S/C18H19NO5/c1-11(18(20)22-3)6-8-23-12-4-5-13-15(10-12)19-17-14(7-9-24-17)16(13)21-2/h4-5,7,9-11H,6,8H2,1-3H3/t11-/m0/s1
InChIKey WOPDGNHIWBYEOT-NSHDSACASA-N
Mol Weight 329.35 g/mol
Molecular Formula C18H19NO5
Exact Mass 329.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ej5dV2KEsJv
Name Roxiamine A
Alternate Name(s) (2S)-4-(4-methoxyfuro[2,3-b]quinolin-7-yl)oxy-2-methyl-butyric acid methyl ester (2S)-4-[(4-methoxy-7-furo[2,3-b]quinolinyl)oxy]-2-methylbutanoic acid methyl ester Methyl (2S)-4-(4-methoxyfuro[2,3-b]quinolin-7-yl)oxy-2-methylbutanoate
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Formula C18H19NO5
InChI InChI=1S/C18H19NO5/c1-11(18(20)22-3)6-8-23-12-4-5-13-15(10-12)19-17-14(7-9-24-17)16(13)21-2/h4-5,7,9-11H,6,8H2,1-3H3/t11-/m0/s1
InChIKey WOPDGNHIWBYEOT-NSHDSACASA-N
Molecular Weight 329.352 g/mol
SMILES c12c(nc3c(c2OC)ccc(OCC[C@@](C(=O)OC)(C)[H])c3)occ1
SPLASH splash10-014i-0913000000-ef26d3f8e452d00769d9
Source of Spectrum G4-59-471-3
Wiley ID 1606303