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2-Oxa-11,14-diazatricyclo[15.2.2.13,7]docosa-3,5,7(22),17,19,20-hexaene-10,13-dione, 12-[(4-hydroxyphenyl)methyl]-, (S)-
SpectraBase Compound ID A1WDjZNdXkC
InChI InChI=1S/C26H26N2O4/c29-21-9-4-20(5-10-21)17-24-26(31)27-15-14-18-6-11-22(12-7-18)32-23-3-1-2-19(16-23)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 NFMKRQQDZFRKJU-DEOSSOPVSA-N
Mol Weight 430.5 g/mol
Molecular Formula C26H26N2O4
Exact Mass 430.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4Fc0x1hJD2
Name 2-Oxa-11,14-diazatricyclo[15.2.2.13,7]docosa-3,5,7(22),17,19,20-hexaene-10,13-dione, 12-[(4-hydroxyphenyl)methyl]-, (S)-
CAS Registry Number 129151-04-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N2O4
InChI InChI=1S/C26H26N2O4/c29-21-9-4-20(5-10-21)17-24-26(31)27-15-14-18-6-11-22(12-7-18)32-23-3-1-2-19(16-23)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 NFMKRQQDZFRKJU-DEOSSOPVSA-N
Molecular Weight 430.504 g/mol
SMILES N1C(CCc2cc(Oc3ccc(CCNC([C@@]1(Cc1ccc(cc1)O)[H])=O)cc3)ccc2)=O
SPLASH splash10-001i-0004900000-0e3409257502670e28a8
Source of Spectrum J-55-6012-95
Synonyms (12S)-12-(4-hydroxybenzyl)-2-oxa-11,14-diazatricyclo[15.2.2.1(3,7)]docosa-1(19),3(22),4,6,17,20-hexaene-10,13-dione S-12-[(4-hydroxyphenyl)methyl]-10,13-dioxo-2-oxa-11,14-diazatricyclo[15.2.2.1]docosa-3,5,7(22),17,19,20-hexaene
Wiley ID 1381653