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N-[(1S,2S)-(2,4/3)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)-5-CYCLOHEXENYL)-VALIOLAMINE;VALIDOXYAMINE-G
SpectraBase Compound ID HSsZBXwJv8t
InChI InChI=1S/C14H25NO9/c16-3-5-1-6(9(19)11(21)8(5)18)15-7-2-14(24,4-17)13(23)12(22)10(7)20/h1,6-13,15-24H,2-4H2/t6-,7+,8+,9-,10+,11-,12-,13+,14+/m1/s1
InChIKey RZSPTXNJXPJAAB-WIPZUDNQSA-N
Mol Weight 351.35 g/mol
Molecular Formula C14H25NO9
Exact Mass 351.152931 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dtr1gzpUsfR
Name N-[(1S,2S)-(2,4/3)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)-5-CYCLOHEXENYL)-VALIOLAMINE;VALIDOXYAMINE-G
CAS Registry Number 106054-18-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H25NO9
InChI InChI=1S/C14H25NO9/c16-3-5-1-6(9(19)11(21)8(5)18)15-7-2-14(24,4-17)13(23)12(22)10(7)20/h1,6-13,15-24H,2-4H2/t6-,7+,8+,9-,10+,11-,12-,13+,14+/m1/s1
InChIKey RZSPTXNJXPJAAB-WIPZUDNQSA-N
Literature Reference Author H.FUKASE,S.HORII
Literature Reference Citation J.ORG.CHEM.,57,3651(1992)
Literature Reference DOI 10.1021/jo00039a026
Molecular Weight 351.354 g/mol
Solvent D2O
Source File Reference UWCS1373