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(1S*,2S*,6S*)-1,2,5,6,7,8-Hexahydroxy-2-iodo-8-oxo-4-(phenylsulfonyl)benzofuran
SpectraBase Compound ID 5siTmcPhyVa
InChI InChI=1S/C14H13IO4S/c15-12-8-11(6-9-7-13(16)19-14(9)12)20(17,18)10-4-2-1-3-5-10/h1-5,8-9,12,14H,6-7H2/t9-,12+,14+/m1/s1
InChIKey JUFFJFIIGDRVRG-LQJRIPTKSA-N
Mol Weight 404.22 g/mol
Molecular Formula C14H13IO4S
Exact Mass 403.957925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15TYzqDHto
Name (1S*,2S*,6S*)-1,2,5,6,7,8-Hexahydroxy-2-iodo-8-oxo-4-(phenylsulfonyl)benzofuran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13IO4S
InChI InChI=1S/C14H13IO4S/c15-12-8-11(6-9-7-13(16)19-14(9)12)20(17,18)10-4-2-1-3-5-10/h1-5,8-9,12,14H,6-7H2/t9-,12+,14+/m1/s1
InChIKey JUFFJFIIGDRVRG-LQJRIPTKSA-N
Molecular Weight 404.218 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)=C[C@@](I)([H])[C@@]2([C@](C1)(CC(=O)O2)[H])[H]
SPLASH splash10-0fb9-5920000000-0929a3a9cdc4931b61a0
Source of Spectrum QA-44-370-10
Synonyms (3aS,7S,7aS)-5-Benzenesulfonyl-7-iodo-3a,4,7,7a-tetrahydro-3H-benzofuran-2-one (3aS,7S,7aS)-5-(benzenesulfonyl)-7-iodo-3a,4,7,7a-tetrahydro-3H-1-benzofuran-2-one (3aS,7S,7aS)-5-(benzenesulfonyl)-7-iodo-3a,4,7,7a-tetrahydro-3H-benzofuran-2-one (3aS,7S,7aS)-7-iodanyl-5-(phenylsulfonyl)-3a,4,7,7a-tetrahydro-3H-1-benzofuran-2-one
Wiley ID 862559