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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]-4-methoxy-, (S)-
SpectraBase Compound ID 7WojPIwzt5j
InChI InChI=1S/C27H28N2O5/c1-33-24-12-6-20-14-15-28-27(32)23(16-19-2-8-21(30)9-3-19)29-26(31)13-7-18-4-10-22(11-5-18)34-25(24)17-20/h2-6,8-12,17,23,30H,7,13-16H2,1H3,(H,28,32)(H,29,31)/t23-/m0/s1
InChIKey GBWBRRGDLYVJLF-QHCPKHFHSA-N
Mol Weight 460.53 g/mol
Molecular Formula C27H28N2O5
Exact Mass 460.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8EcWuvsxE12
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]-4-methoxy-, (S)-
CAS Registry Number 120363-42-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28N2O5
InChI InChI=1S/C27H28N2O5/c1-33-24-12-6-20-14-15-28-27(32)23(16-19-2-8-21(30)9-3-19)29-26(31)13-7-18-4-10-22(11-5-18)34-25(24)17-20/h2-6,8-12,17,23,30H,7,13-16H2,1H3,(H,28,32)(H,29,31)/t23-/m0/s1
InChIKey GBWBRRGDLYVJLF-QHCPKHFHSA-N
Molecular Weight 460.530 g/mol
SMILES N1C(CCc2ccc(Oc3cc(CCNC([C@@]1(Cc1ccc(cc1)O)[H])=O)ccc3OC)cc2)=O
SPLASH splash10-03di-0005900000-093dd94465c3c174ff59
Source of Spectrum J-55-6012-85
Synonyms (12S)-12-(4-hydroxybenzyl)-4-methoxy-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-methoxy-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
Wiley ID 1390539