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6-Oxa-15,20,24,27-tetraazatetracyclo[13.9.6.22,5.17,11]tritriaconta-2,4,7,9,11(31),12,32-heptaene-14,26-dione, 8-hydroxy-, [s-(Z)]-
SpectraBase Compound ID 5za3odiw9ao
InChI InChI=1S/C28H36N4O4/c33-25-11-5-21-6-12-28(35)32-17-2-1-13-29-14-3-15-30-24(20-27(34)31-16-4-18-32)22-7-9-23(10-8-22)36-26(25)19-21/h5-12,19,24,29-30,33H,1-4,13-18,20H2,(H,31,34)/b12-6-
InChIKey WTPFXNXOCATDNF-SDQBBNPISA-N
Mol Weight 492.6 g/mol
Molecular Formula C28H36N4O4
Exact Mass 492.273656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gK3lrcmPaZ
Name 6-Oxa-15,20,24,27-tetraazatetracyclo[13.9.6.22,5.17,11]tritriaconta-2,4,7,9,11(31),12,32-heptaene-14,26-dione, 8-hydroxy-, [s-(Z)]-
CAS Registry Number 114622-14-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36N4O4
InChI InChI=1S/C28H36N4O4/c33-25-11-5-21-6-12-28(35)32-17-2-1-13-29-14-3-15-30-24(20-27(34)31-16-4-18-32)22-7-9-23(10-8-22)36-26(25)19-21/h5-12,19,24,29-30,33H,1-4,13-18,20H2,(H,31,34)/b12-6-
InChIKey WTPFXNXOCATDNF-SDQBBNPISA-N
Molecular Weight 492.620 g/mol
SMILES Oc1c2Oc3ccc(C4CC(=O)NCCCN(C(\C=C/c(cc1)c2)=O)CCCCNCCCN4)cc3
SPLASH splash10-001l-9020100000-4586dc4052ad490f6106
Source of Spectrum H-71-222-1
Synonyms (+)-Chaenorpine .beta.',n-(1,5-diazanonane-1,9-diyl)-.alpha.',.beta.'-Dihydro-4-hydroxy-N,N'-(propane-1,3-diyl)-3,4'-oxy-di[benzenepropanamide] 8-Hydroxy-6-oxa-15,20,24,27-tetraazatetracyclo[13.9.6.2(2,5).1(7,11)]tritriaconta-2,4,7(33),8,10,12,31-heptaene-14,26-dione Chaenorpin Chaenorpine
Wiley ID 1397594