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2,5-bis(7'-Hydroxybenzopyran-4'-one-2'-carbamoyl)-3-hydroxy-1,6-diphenylhexane
SpectraBase Compound ID HxYsdcdgDo6
InChI InChI=1S/C38H32N2O9/c41-25-11-13-27-30(43)20-35(48-33(27)18-25)37(46)39-24(15-22-7-3-1-4-8-22)17-32(45)29(16-23-9-5-2-6-10-23)40-38(47)36-21-31(44)28-14-12-26(42)19-34(28)49-36/h1-14,18-21,24,29,32,41-42,45H,15-17H2,(H,39,46)(H,40,47)
InChIKey FLAFISNGZNIETB-UHFFFAOYSA-N
Mol Weight 660.7 g/mol
Molecular Formula C38H32N2O9
Exact Mass 660.210781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYQhwoCTwdF
Name 2,5-bis(7'-Hydroxybenzopyran-4'-one-2'-carbamoyl)-3-hydroxy-1,6-diphenylhexane
Comments Less than 3 mono-isotopic peaks
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Formula C38H32N2O9
InChI InChI=1S/C38H32N2O9/c41-25-11-13-27-30(43)20-35(48-33(27)18-25)37(46)39-24(15-22-7-3-1-4-8-22)17-32(45)29(16-23-9-5-2-6-10-23)40-38(47)36-21-31(44)28-14-12-26(42)19-34(28)49-36/h1-14,18-21,24,29,32,41-42,45H,15-17H2,(H,39,46)(H,40,47)
InChIKey FLAFISNGZNIETB-UHFFFAOYSA-N
Molecular Weight 660.679 g/mol
SMILES Oc1cc2c(C(C=C(C(NC(C(CC(NC(C=3Oc4cc(ccc4C(C3)=O)O)=O)Cc3ccccc3)O)Cc3ccccc3)=O)O2)=O)cc1
SPLASH splash10-01ox-9000005000-5220988cbc0d5f98c912
Source of Spectrum G2-34-2585-2
Synonyms N-(1-benzyl-2-hydroxy-4-{[(7-hydroxy-4-oxo-4H-chromen-2-yl)carbonyl]amino}-5-phenylpentyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxamide
Wiley ID 1582465