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CALYSTEGIN_B1;8-AZABICYCLO-(3.2.1)-OCTAN-1.2.3.6-TETRAOL
SpectraBase Compound ID GEcs1VsivlC
InChI InChI=1S/C7H13NO4/c9-4-1-3-5(10)2-7(12,8-3)6(4)11/h3-6,8-12H,1-2H2/t3-,4-,5+,6-,7-/m1/s1
InChIKey BQFFLYRIKODYEN-XUUWZHRGSA-N
Mol Weight 175.18 g/mol
Molecular Formula C7H13NO4
Exact Mass 175.084458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6cjbOizpbWH
Name CALYSTEGIN_B1;8-AZABICYCLO-(3.2.1)-OCTAN-1.2.3.6-TETRAOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H13NO4
InChI InChI=1S/C7H13NO4/c9-4-1-3-5(10)2-7(12,8-3)6(4)11/h3-6,8-12H,1-2H2/t3-,4-,5+,6-,7-/m1/s1
InChIKey BQFFLYRIKODYEN-XUUWZHRGSA-N
Literature Reference Author A.GOLDMANN,M.L.MILAT,P.H.DUCROT,J.Y.LALLEMAND,M.MAILLE,A.LEP INGLE,I.CHARPIN,D.TE
Literature Reference Citation PHYTOCHEM.,29,2125(1990)
Literature Reference DOI 10.1016/0031-9422(90)83019-W
Molecular Weight 175.185 g/mol
Solvent D2O
Source File Reference UWMZ22297