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(1S,2R,3S,4S,5S,6R)-6-Acetamido-4-(acetoxymethyl)-4-hydroxy-5-iodocyclohexane-1,2,3-triyl triacetate
SpectraBase Compound ID A3wldKvKC2D
InChI InChI=1S/C17H24INO10/c1-7(20)19-12-13(27-9(3)22)14(28-10(4)23)16(29-11(5)24)17(25,15(12)18)6-26-8(2)21/h12-16,25H,6H2,1-5H3,(H,19,20)/t12-,13+,14-,15+,16+,17-/m1/s1
InChIKey DYSSBJUMCBZTQD-IAFLNBNSSA-N
Mol Weight 529.28 g/mol
Molecular Formula C17H24INO10
Exact Mass 529.044491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 285y6f9XOLu
Name (1S,2R,3S,4S,5S,6R)-6-Acetamido-4-(acetoxymethyl)-4-hydroxy-5-iodocyclohexane-1,2,3-triyl triacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24INO10
InChI InChI=1S/C17H24INO10/c1-7(20)19-12-13(27-9(3)22)14(28-10(4)23)16(29-11(5)24)17(25,15(12)18)6-26-8(2)21/h12-16,25H,6H2,1-5H3,(H,19,20)/t12-,13+,14-,15+,16+,17-/m1/s1
InChIKey DYSSBJUMCBZTQD-IAFLNBNSSA-N
Molecular Weight 529.280 g/mol
SMILES N([C@@]1([C@@]([C@]([C@@]([C@]([C@]1(I)[H])(COC(=O)C)O)(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])C(=O)C
SPLASH splash10-01po-9606020000-5c866520a272005c1b30
Source of Spectrum F-69-7036-16
Wiley ID 1738457