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Methyl (3R,4R,5S,6S,7R)-3,5,7-Trihydroxy-6-methoxy-4-[(methylsulfonyl)oxy]-7-phenylheptanoate
SpectraBase Compound ID KiZmTOGcUKX
InChI InChI=1S/C16H24O9S/c1-23-12(18)9-11(17)15(25-26(3,21)22)14(20)16(24-2)13(19)10-7-5-4-6-8-10/h4-8,11,13-17,19-20H,9H2,1-3H3/t11-,13-,14-,15-,16+/m1/s1
InChIKey FBKWSJZJXITNSJ-BTAUDXDXSA-N
Mol Weight 392.42 g/mol
Molecular Formula C16H24O9S
Exact Mass 392.114104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCqgIMYvTpy
Name Methyl (3R,4R,5S,6S,7R)-3,5,7-Trihydroxy-6-methoxy-4-[(methylsulfonyl)oxy]-7-phenylheptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O9S
InChI InChI=1S/C16H24O9S/c1-23-12(18)9-11(17)15(25-26(3,21)22)14(20)16(24-2)13(19)10-7-5-4-6-8-10/h4-8,11,13-17,19-20H,9H2,1-3H3/t11-,13-,14-,15-,16+/m1/s1
InChIKey FBKWSJZJXITNSJ-BTAUDXDXSA-N
Molecular Weight 392.419 g/mol
SMILES O[C@@]([C@@]([C@@]([C@](OS(=O)(=O)C)([C@@](CC(=O)OC)(O)[H])[H])(O)[H])(OC)[H])(c1ccccc1)[H]
SPLASH splash10-06e9-0900000000-c034ec5f7fe4a2149f18
Source of Spectrum F4-44-3487-15
Synonyms (3R,4R,5S,6S,7R)-methyl 3,5,7-trihydroxy-6-methoxy-4-((methylsulfonyl)oxy)-7-phenylheptanoate
Wiley ID 1736820