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2-Oxa-10,13-diazatricyclo[15.2.2.13,7]docosa-3,5,7(22),17,19,20-hexaene-11,14-dione, 12-[(4-hydroxyphenyl)methyl]-, (S)-
SpectraBase Compound ID 3yqWdZUEecd
InChI InChI=1S/C26H26N2O4/c29-21-9-4-20(5-10-21)17-24-26(31)27-15-14-19-2-1-3-23(16-19)32-22-11-6-18(7-12-22)8-13-25(30)28-24/h1-7,9-12,16,24,29H,8,13-15,17H2,(H,27,31)(H,28,30)/t24-/m0/s1
InChIKey FGRVNETVULBFHX-DEOSSOPVSA-N
Mol Weight 430.5 g/mol
Molecular Formula C26H26N2O4
Exact Mass 430.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3l4H1qbVCPj
Name 2-oxa-10,13-Diazatricyclo[15.2.2.13,7]docosa-3,5,7(22),17,19,20-hexaene-11,14-dione, 12-[(4-hydroxyphenyl)methyl]-, (S)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.189257321 u
Formula C26H26N2O4
InChI InChI=1S/C26H26N2O4/c29-21-9-4-20(5-10-21)17-24-26(31)27-15-14-19-2-1-3-23(16-19)32-22-11-6-18(7-12-22)8-13-25(30)28-24/h1-7,9-12,16,24,29H,8,13-15,17H2,(H,27,31)(H,28,30)/t24-/m0/s1
InChIKey FGRVNETVULBFHX-DEOSSOPVSA-N
Molecular Weight 430.504 g/mol
SMILES [C@@]1(NC(CCC=2C=CC(OC=3C=C(CCNC1=O)C=CC3)=CC2)=O)(CC=1C=CC(=CC1)O)[H]