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.alpha.-[4'(S)-6'-Trimethylsilylhex-5'-en-1'-yn-4'-yl]-3,4,6-tri-O-acetyl-2-deoxy-2-iodo-D-mannopyranoside
SpectraBase Compound ID I78KQoAXuMh
InChI InChI=1S/C21H31IO8Si/c1-8-9-16(10-11-31(5,6)7)29-21-18(22)20(28-15(4)25)19(27-14(3)24)17(30-21)12-26-13(2)23/h1,10-11,16-21H,9,12H2,2-7H3/b11-10+/t16-,17+,18-,19+,20+,21-/m0/s1
InChIKey PIKNRDJURQNGLB-MCJZOIFWSA-N
Mol Weight 566.46 g/mol
Molecular Formula C21H31IO8Si
Exact Mass 566.083289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcxSgJDe6uA
Name .alpha.-[4'(S)-6'-Trimethylsilylhex-5'-en-1'-yn-4'-yl]-3,4,6-tri-O-acetyl-2-deoxy-2-iodo-D-mannopyranoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31IO8Si
InChI InChI=1S/C21H31IO8Si/c1-8-9-16(10-11-31(5,6)7)29-21-18(22)20(28-15(4)25)19(27-14(3)24)17(30-21)12-26-13(2)23/h1,10-11,16-21H,9,12H2,2-7H3/b11-10+/t16-,17+,18-,19+,20+,21-/m0/s1
InChIKey PIKNRDJURQNGLB-MCJZOIFWSA-N
Molecular Weight 566.460 g/mol
SMILES [C@@]1([C@@]([C@](O[C@@]([C@]1(OC(=O)C)[H])(COC(=O)C)[H])(O[C@](\C=C\[Si](C)(C)C)(CC#C)[H])[H])(I)[H])(OC(=O)C)[H]
SPLASH splash10-0002-2149400000-cbd6f90422ec67432cab
Source of Spectrum F-53-8390-0
Synonyms Acetic acid (2R,3R,4S,5S,6S)-4-acetoxy-2-acetoxymethyl-5-iodo-6-[(S)-1-((E)-2-trimethylsilanyl-vinyl)-but-3-ynyloxy]-tetrahydro-pyran-3-yl ester Acetic acid [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-5-iodo-6-[(E,3S)-1-trimethylsilylhex-1-en-5-yn-3-yl]oxy-2-oxanyl]methyl ester [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-5-iodo-6-[(E,3S)-1-trimethylsilylhex-1-en-5-yn-3-yl]oxyoxan-2-yl]methyl acetate [(2R,3R,4S,5S,6S)-3,4-diacetoxy-5-iodo-6-[(1S)-1-[(E)-2-trimethylsilylvinyl]but-3-ynoxy]tetrahydropyran-2-yl]methyl acetate [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-5-iodanyl-6-[(E,3S)-1-trimethylsilylhex-1-en-5-yn-3-yl]oxy-oxan-2-yl]methyl ethanoate
Wiley ID 802651