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5-Methoxy-11-methyl-13-oxo-6-aza-tricyclo[7.3.1.0(2,7)]trideca-2(7),3,5,10-tetraene-1-carboxylic acid (S)-1-benzyloxycarbonyl-ethyl ester
SpectraBase Compound ID 8HzGSg309FW
InChI InChI=1S/C25H25NO6/c1-15-11-18-12-20-19(9-10-21(26-20)30-3)25(13-15,22(18)27)24(29)32-16(2)23(28)31-14-17-7-5-4-6-8-17/h4-11,16,18H,12-14H2,1-3H3/t16-,18-,25-/m0/s1
InChIKey LSPCOIQFXMBINY-YLNNLZOCSA-N
Mol Weight 435.48 g/mol
Molecular Formula C25H25NO6
Exact Mass 435.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1stsYlXt9CW
Name 5-Methoxy-11-methyl-13-oxo-6-aza-tricyclo[7.3.1.0(2,7)]trideca-2(7),3,5,10-tetraene-1-carboxylic acid (S)-1-benzyloxycarbonyl-ethyl ester
Alternate Name(s) (5S,9R)-(S)-1-(benzyloxy)-1-oxopropan-2-yl 2-methoxy-7-methyl-11-oxo-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridine-5-carboxylate
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Formula C25H25NO6
InChI InChI=1S/C25H25NO6/c1-15-11-18-12-20-19(9-10-21(26-20)30-3)25(13-15,22(18)27)24(29)32-16(2)23(28)31-14-17-7-5-4-6-8-17/h4-11,16,18H,12-14H2,1-3H3/t16-,18-,25-/m0/s1
InChIKey LSPCOIQFXMBINY-YLNNLZOCSA-N
Literature Reference DOI 10.1002/cjoc.20030210716
Molecular Weight 435.476 g/mol
SMILES [C@](OC([C@@]12C([C@](Cc3c2ccc(n3)OC)(C=C(C1)C)[H])=O)=O)(C(OCc1ccccc1)=O)(C)[H]
SPLASH splash10-0006-9152000000-b89154de9a0ccea323f8
Source of Spectrum CJC-21-796-6b
Wiley ID 1773760