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Saxoguattine
SpectraBase Compound ID 4slX7Gznfl0
InChI InChI=1S/C21H25NO6/c1-22(2)9-8-13-11-18(27-4)19(28-5)12-15(13)21(25)20(24)14-6-7-17(26-3)16(23)10-14/h6-7,10-12,23H,8-9H2,1-5H3
InChIKey SDAWDMSHWSTCIC-UHFFFAOYSA-N
Mol Weight 387.43 g/mol
Molecular Formula C21H25NO6
Exact Mass 387.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTFysy4vRvA
Name Saxoguattine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO6
InChI InChI=1S/C21H25NO6/c1-22(2)9-8-13-11-18(27-4)19(28-5)12-15(13)21(25)20(24)14-6-7-17(26-3)16(23)10-14/h6-7,10-12,23H,8-9H2,1-5H3
InChIKey SDAWDMSHWSTCIC-UHFFFAOYSA-N
Molecular Weight 387.432 g/mol
SMILES Oc1cc(C(C(c2c(cc(c(c2)OC)OC)CCN(C)C)=O)=O)ccc1OC
SPLASH splash10-0a4i-9221000000-1e1aa2bdec03fa0576ba
Source of Spectrum X2-47-361-18
Synonyms 1-{2-[2-(dimethylamino)ethyl]-4,5-dimethoxyphenyl}-2-(3-hydroxy-4-methoxyphenyl)-1,2-ethanedione 1-{3',4'-dimethoxy-6'-[2''-(N,N-dimethylamino)ethyl]phenyl}-2-(3'''-hydroxy-4'''-methoxyphenyl)-ethane-1,2-dione
Wiley ID 1601394