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TERT.-BUTYL-(2AA,10AA)-3-OXO-1,2,6,7-TETRAMETHOXYCARBONYL-2A,10A-DIHYDRO-3H-AZOCINO-[2,1,8-CD]-INDOLIZINE-2A-CARBOXYLATE
SpectraBase Compound ID B3NZio8Oul4
InChI InChI=1S/C26H27NO11/c1-25(2,3)38-24(33)26-16(28)12-11-15-17(21(30)35-5)13(20(29)34-4)9-8-10-14(27(15)26)18(22(31)36-6)19(26)23(32)37-7/h8-12,14H,1-7H3/b10-8-,13-9+,17-15+/t14-,26+/m0/s1
InChIKey YGPNABLRYCKJCI-PTFBELJBSA-N
Mol Weight 529.5 g/mol
Molecular Formula C26H27NO11
Exact Mass 529.158411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1EXhYGRuYi
Name tert-Butyl (2aa,10aa)-2a,10a-Dihydro-3-oxo-1,2,6,7-tetramethoxycarbonyl-3H-azocino[2,1,8-cd]indolizine-2a-carboxylate
Alternate Name(s) 2a-tert-butyl 1,2,6,7-tetramethyl (2aS,10aS)-3-oxo-3,10a-dihydro-2aH-azocino[2,1,8-cd]indolizine-1,2,2a,6,7-pentacarboxylate
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Formula C26H27NO11
InChI InChI=1S/C26H27NO11/c1-25(2,3)38-24(33)26-16(28)12-11-15-17(21(30)35-5)13(20(29)34-4)9-8-10-14(27(15)26)18(22(31)36-6)19(26)23(32)37-7/h8-12,14H,1-7H3/b10-8-,13-9+,17-15+/t14-,26+/m0/s1
InChIKey YGPNABLRYCKJCI-PTFBELJBSA-N
Molecular Weight 529.498 g/mol
SMILES [C@@]12(C(=C(C(=O)OC)[C@]3(N2\C(=C/(\C(C(=O)OC)=C/C=C\3)C(=O)OC)C=CC1=O)[H])C(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-0002-0019100000-360b4ae750f8653bab94
Source of Spectrum J-66-1646-18
Wiley ID 1534701