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1,6,10,22-Tetraazatricyclo[9.7.6.1(12,16)]pentacosa-12,14,16(25)-triene-18,23-dione, 6,10-diacetyl-15-hydroxy-17-[(4-methoxyphenyl)methyl]-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1,6,10,22-Tetraazatricyclo[9.7.6.1(12,16)]pentacosa-12,14,16(25)-triene-18,23-dione, 6,10-diacetyl-15-hydroxy-17-[(4-methoxyphenyl)methyl]-
SpectraBase Compound ID C7AieSNNC70
InChI InChI=1S/C33H44N4O6/c1-23(38)35-15-4-5-16-36-17-6-14-34-32(41)22-30(37(24(2)39)19-7-18-35)26-10-13-31(40)28(21-26)29(33(36)42)20-25-8-11-27(43-3)12-9-25/h8-13,21,29-30,40H,4-7,14-20,22H2,1-3H3,(H,34,41)
InChIKey VPABZYTXXSPGML-UHFFFAOYSA-N
Mol Weight 592.7 g/mol
Molecular Formula C33H44N4O6
Exact Mass 592.326085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQKQMwDhoiV
Name 1,6,10,22-Tetraazatricyclo[9.7.6.1(12,16)]pentacosa-12,14,16(25)-triene-18,23-dione, 6,10-diacetyl-15-hydroxy-17-[(4-methoxyphenyl)methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 592.326085147 u
Formula C33H44N4O6
InChI InChI=1S/C33H44N4O6/c1-23(38)35-15-4-5-16-36-17-6-14-34-32(41)22-30(37(24(2)39)19-7-18-35)26-10-13-31(40)28(21-26)29(33(36)42)20-25-8-11-27(43-3)12-9-25/h8-13,21,29-30,40H,4-7,14-20,22H2,1-3H3,(H,34,41)
InChIKey VPABZYTXXSPGML-UHFFFAOYSA-N
Molecular Weight 592.737 g/mol
SMILES C1CCN(C2C=3C=CC(=C(C(C(=O)N(CCCCN1C(C)=O)CCCNC(C2)=O)CC1=CC=C(C=C1)OC)C3)O)C(C)=O