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2-Oxa-11,14-diazatricyclo[15.2.2.13,7]docosa-3,5,7(22),17,19,20-hexaene-12-acetamide, 4-methoxy-10,13-dioxo-, (S)-
SpectraBase Compound ID ktbNBWzoGU
InChI InChI=1S/C22H25N3O5/c1-29-18-8-4-15-5-9-21(27)25-17(13-20(23)26)22(28)24-11-10-14-2-6-16(7-3-14)30-19(18)12-15/h2-4,6-8,12,17H,5,9-11,13H2,1H3,(H2,23,26)(H,24,28)(H,25,27)/t17-/m0/s1
InChIKey UGFVQKRPFRTFJO-KRWDZBQOSA-N
Mol Weight 411.46 g/mol
Molecular Formula C22H25N3O5
Exact Mass 411.179421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FoYkN7nuPaw
Name 2-oxa-11,14-Diazatricyclo[15.2.2.13,7]docosa-3,5,7(22),17,19,20-hexaene-12-acetamide, 4-methoxy-10,13-dioxo-, (S)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.179420912 u
Formula C22H25N3O5
InChI InChI=1S/C22H25N3O5/c1-29-18-8-4-15-5-9-21(27)25-17(13-20(23)26)22(28)24-11-10-14-2-6-16(7-3-14)30-19(18)12-15/h2-4,6-8,12,17H,5,9-11,13H2,1H3,(H2,23,26)(H,24,28)(H,25,27)/t17-/m0/s1
InChIKey UGFVQKRPFRTFJO-KRWDZBQOSA-N
Molecular Weight 411.458 g/mol
SMILES [C@@]1(NC(CCC2=CC(OC3=CC=C(CCNC1=O)C=C3)=C(C=C2)OC)=O)(CC(=O)N)[H]