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1L-5-Amino-5-deoxy-allo-inositolehexaacetate
SpectraBase Compound ID E7BmnAXg2tK
InChI InChI=1S/C18H25NO11/c1-7(20)19-13-14(26-8(2)21)16(28-10(4)23)18(30-12(6)25)17(29-11(5)24)15(13)27-9(3)22/h13-18H,1-6H3,(H,19,20)/t13-,14-,15-,16-,17+,18-/m0/s1
InChIKey HUIJQCXRTYJHCQ-FRMKIJSPSA-N
Mol Weight 431.39 g/mol
Molecular Formula C18H25NO11
Exact Mass 431.142761 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkiC7unJLgZ
Name 1L-5-Amino-5-deoxy-allo-inositolehexaacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO11
InChI InChI=1S/C18H25NO11/c1-7(20)19-13-14(26-8(2)21)16(28-10(4)23)18(30-12(6)25)17(29-11(5)24)15(13)27-9(3)22/h13-18H,1-6H3,(H,19,20)/t13-,14-,15-,16-,17+,18-/m0/s1
InChIKey HUIJQCXRTYJHCQ-FRMKIJSPSA-N
Molecular Weight 431.394 g/mol
SMILES N([C@]1([C@@]([C@@](OC(=O)C)([C@@]([C@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])C(=O)C
SPLASH splash10-000x-9730000000-7b7f6ac0e75489fb0345
Source of Spectrum QC-1-413-21
Wiley ID 882800