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Aspidochibine (ACQ-2)
SpectraBase Compound ID LLlMyj8qLUN
InChI InChI=1S/C19H22N2O3/c1-2-19-8-7-15-13(12-5-3-4-6-14(12)21-15)9-17(22)24-16(10-19)18(23)20-11-19/h3-6,16,21H,2,7-11H2,1H3,(H,20,23)/t16-,19+/m1/s1
InChIKey YUPRHHFLOLUPFG-APWZRJJASA-N
Mol Weight 326.4 g/mol
Molecular Formula C19H22N2O3
Exact Mass 326.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BY4RQUFzTe
Name Aspidochibine (ACQ-2)
Alternate Name(s) (1S,16R)-1-ethyl-15-oxa-5,18-diazatetracyclo[14.3.1.0(4,12).0(6,11)]icosa-4(12),6,8,10-tetraene-14,17-dione
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Formula C19H22N2O3
InChI InChI=1S/C19H22N2O3/c1-2-19-8-7-15-13(12-5-3-4-6-14(12)21-15)9-17(22)24-16(10-19)18(23)20-11-19/h3-6,16,21H,2,7-11H2,1H3,(H,20,23)/t16-,19+/m1/s1
InChIKey YUPRHHFLOLUPFG-APWZRJJASA-N
Molecular Weight 326.396 g/mol
SMILES [nH]1c2c(c3CC(O[C@]4(C(NC[C@](CCc13)(CC)C4)=O)[H])=O)cccc2
SPLASH splash10-056u-0906000000-dfbbfca151cd49c8d121
Source of Spectrum AT-32-4952-1
Wiley ID 836118