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(8S*,14S*)-(+-)-8-Cyanoxylopinine
SpectraBase Compound ID ELsJws3iTF5
InChI InChI=1S/C22H24N2O4/c1-25-19-8-13-5-6-24-17(15(13)10-21(19)27-3)7-14-9-20(26-2)22(28-4)11-16(14)18(24)12-23/h8-11,17-18H,5-7H2,1-4H3/t17-,18+/m0/s1
InChIKey ABGCOYUSXQSXGM-ZWKOTPCHSA-N
Mol Weight 380.44 g/mol
Molecular Formula C22H24N2O4
Exact Mass 380.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hON2yYA2nP
Name (8S*,14S*)-(+-)-8-Cyanoxylopinine
Alternate Name(s) (8S,13aS)-2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-8-carbonitrile
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Formula C22H24N2O4
InChI InChI=1S/C22H24N2O4/c1-25-19-8-13-5-6-24-17(15(13)10-21(19)27-3)7-14-9-20(26-2)22(28-4)11-16(14)18(24)12-23/h8-11,17-18H,5-7H2,1-4H3/t17-,18+/m0/s1
InChIKey ABGCOYUSXQSXGM-ZWKOTPCHSA-N
Molecular Weight 380.444 g/mol
SMILES [C@@]12(N(CCc3c2cc(c(c3)OC)OC)[C@@](c2c(C1)cc(c(c2)OC)OC)(C#N)[H])[H]
SPLASH splash10-0ik9-0906000000-01e72f10fb3588b878ea
Source of Spectrum F-56-9719-17
Wiley ID 859393