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DUOCARMYCIN-A
SpectraBase Compound ID BLCugOCHI9N
InChI InChI=1S/C26H25N3O8/c1-25(24(33)37-5)22(31)17-19(28-25)14(30)8-16-26(17)9-12(26)10-29(16)23(32)13-6-11-7-15(34-2)20(35-3)21(36-4)18(11)27-13/h6-8,12,27-28H,9-10H2,1-5H3/t12-,25+,26+/m1/s1
InChIKey AZVARJHZBXHUSO-PERGISLBSA-N
Mol Weight 507.5 g/mol
Molecular Formula C26H25N3O8
Exact Mass 507.164165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hbuz2ANy3vi
Name dl-2-Epiduocarmycin A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25N3O8
InChI InChI=1S/C26H25N3O8/c1-25(24(33)37-5)22(31)17-19(28-25)14(30)8-16-26(17)9-12(26)10-29(16)23(32)13-6-11-7-15(34-2)20(35-3)21(36-4)18(11)27-13/h6-8,12,27-28H,9-10H2,1-5H3/t12-,25+,26+/m1/s1
InChIKey AZVARJHZBXHUSO-PERGISLBSA-N
Molecular Weight 507.499 g/mol
SMILES N1[C@@](C(C=2[C@@]34C(N(C(c5[nH]c6c(c(c(cc6c5)OC)OC)OC)=O)C[C@]4(C3)[H])=CC(C12)=O)=O)(C(=O)OC)C
SPLASH splash10-001i-0090020000-85a3d0272941bd5fe632
Source of Spectrum F-50-2806-1
Synonyms Methyl (2S,3bR,4aS)-2-methyl-3,8-dioxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,2,3,4,4a,5,6,8-octahydrocyclopropa[c]pyrrolo[3,2-e]indole-2-carboxylate
Wiley ID 1400016