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ALOCASIN-D
SpectraBase Compound ID E7s2gfjIO3d
InChI InChI=1S/C21H20N2O6/c1-28-18-9-12(3-7-17(18)25)4-8-19(26)23-21(29-2)20(27)15-11-22-16-6-5-13(24)10-14(15)16/h3-11,21-22,24-25H,1-2H3,(H,23,26)/b8-4+
InChIKey YGUUQJJEKRPTAT-XBXARRHUSA-N
Mol Weight 396.4 g/mol
Molecular Formula C21H20N2O6
Exact Mass 396.132136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wIauHSPGtK
Name ALOCASIN-D
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20N2O6
InChI InChI=1S/C21H20N2O6/c1-28-18-9-12(3-7-17(18)25)4-8-19(26)23-21(29-2)20(27)15-11-22-16-6-5-13(24)10-14(15)16/h3-11,21-22,24-25H,1-2H3,(H,23,26)/b8-4+
InChIKey YGUUQJJEKRPTAT-XBXARRHUSA-N
Literature Reference Author L.H.ZHU,C.CHEN,H.WANG,W.C.YE,G.X.ZHOU
Literature Reference Citation CHEM.PHARM.BULL.,60,670(2012)
Literature Reference DOI 10.1248/cpb.60.670
Molecular Weight 396.400 g/mol
Source File Reference UWBT4404