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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, 4-hydroxy-12-[(4-hydroxyphenyl)methyl]-, (S)-
SpectraBase Compound ID AH31hPxVgUM
InChI InChI=1S/C26H26N2O5/c29-20-7-1-18(2-8-20)15-22-26(32)27-14-13-19-5-11-23(30)24(16-19)33-21-9-3-17(4-10-21)6-12-25(31)28-22/h1-5,7-11,16,22,29-30H,6,12-15H2,(H,27,32)(H,28,31)/t22-/m0/s1
InChIKey KULFSNKTGLRJAO-QFIPXVFZSA-N
Mol Weight 446.5 g/mol
Molecular Formula C26H26N2O5
Exact Mass 446.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44ok0vD5Fez
Name 2-Oxa-10,13-diazatricyclo[15.2.2.13,7]docosa-3,5,7(22),17,19,20-hexaene-11,14-dione, 4-hydroxy-12-[(4-hydroxyphenyl)methyl]-, (S)-
Alternate Name(s) (12S)-4-hydroxy-12-(4-hydroxybenzyl)-2-oxa-10,13-diazatricyclo[15.2.2.1(3,7)]docosa-1(19),3(22),4,6,17,20-hexaene-11,14-dione (S)-4-hydroxy-12-[(4-hydroxyphenyl)methyl]-11,14-dioxo-2-oxa-10,13-diazatricyclo[15.2.2.1(3,7)]docosa-3,5,7(22),17,19,20-hexaene
CAS Registry Number 120363-41-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N2O5
InChI InChI=1S/C26H26N2O5/c29-20-7-1-18(2-8-20)15-22-26(32)27-14-13-19-5-11-23(30)24(16-19)33-21-9-3-17(4-10-21)6-12-25(31)28-22/h1-5,7-11,16,22,29-30H,6,12-15H2,(H,27,32)(H,28,31)/t22-/m0/s1
InChIKey KULFSNKTGLRJAO-QFIPXVFZSA-N
Molecular Weight 446.503 g/mol
SMILES N1C(CCc2ccc(Oc3cc(ccc3O)CCNC([C@@]1(Cc1ccc(cc1)O)[H])=O)cc2)=O
SPLASH splash10-0002-0005900000-6c22f73a421a9aed015d
Source of Spectrum J-55-6011-84
Wiley ID 1386689