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15-Hydroxy-6,14,15,24,32,33-hexahydro-16H-tetrabenzo[b,h,p,v][1,7,18,24,4,11,14,21]tetraoxatetraazacycloheptacosin-7,23,30,35-(8H,22H,31H,34H)-tetraone

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15-Hydroxy-6,14,15,24,32,33-hexahydro-16H-tetrabenzo[b,h,p,v][1,7,18,24,4,11,14,21]tetraoxatetraazacycloheptacosin-7,23,30,35-(8H,22H,31H,34H)-tetraone
SpectraBase Compound ID Cdth7Di3Wao
InChI InChI=1S/C35H34N4O9/c40-23-19-45-30-15-7-3-11-26(30)38-32(41)21-47-28-13-5-1-9-24(28)34(43)36-17-18-37-35(44)25-10-2-6-14-29(25)48-22-33(42)39-27-12-4-8-16-31(27)46-20-23/h1-16,23,40H,17-22H2,(H,36,43)(H,37,44)(H,38,41)(H,39,42)
InChIKey BLIVMLUVAKKTNA-UHFFFAOYSA-N
Mol Weight 654.7 g/mol
Molecular Formula C35H34N4O9
Exact Mass 654.232579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVB6UIxkVfA
Name 15-Hydroxy-6,14,15,24,32,33-hexahydro-16H-tetrabenzo[B,H,p,V][1,7,18,24,4,11,14,21]tetraoxatetraazacycloheptacosin-7,23,30,35-(8H,22H,31H,34H)-tetraone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 654.232578682 u
Formula C35H34N4O9
InChI InChI=1S/C35H34N4O9/c40-23-19-45-30-15-7-3-11-26(30)38-32(41)21-47-28-13-5-1-9-24(28)34(43)36-17-18-37-35(44)25-10-2-6-14-29(25)48-22-33(42)39-27-12-4-8-16-31(27)46-20-23/h1-16,23,40H,17-22H2,(H,36,43)(H,37,44)(H,38,41)(H,39,42)
InChIKey BLIVMLUVAKKTNA-UHFFFAOYSA-N
Molecular Weight 654.676 g/mol
SMILES C=12C(NCCNC(C=3C(OCC(NC4=CC=CC=C4OCC(COC=4C(NC(COC2=CC=CC1)=O)=CC=CC4)O)=O)=CC=CC3)=O)=O