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Tetrahydro-saxoguattine
SpectraBase Compound ID IBzjo1qJdDg
InChI InChI=1S/C21H29NO6/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/h6-7,10-12,20-21,23-25H,8-9H2,1-5H3
InChIKey NTVLRAXMTWVYJC-UHFFFAOYSA-N
Mol Weight 391.46 g/mol
Molecular Formula C21H29NO6
Exact Mass 391.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4g3zAiGRoR2
Name Tetrahydro-saxoguattine
Alternate Name(s) 1-{2-[2-(dimethylamino)ethyl]-4,5-dimethoxyphenyl}-2-(3-hydroxy-4-methoxyphenyl)-1,2-ethanediol 1-{3',4'-dimethoxy-6'-[2''-(N,N-dimethylamino)ethyl]phenyl}-2-(3'''-hydroxy-4'''-methoxyphenyl)-ethane-1,2-diol
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Formula C21H29NO6
InChI InChI=1S/C21H29NO6/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/h6-7,10-12,20-21,23-25H,8-9H2,1-5H3
InChIKey NTVLRAXMTWVYJC-UHFFFAOYSA-N
Molecular Weight 391.464 g/mol
SMILES Oc1cc(C(C(c2c(cc(c(c2)OC)OC)CCN(C)C)O)O)ccc1OC
SPLASH splash10-0a4i-9000000000-614258eb5699cd083668
Source of Spectrum X2-47-361-18
Wiley ID 1601408