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[(3R)-1-Trimethylsilyl-hexa-1,5-diyn-3-yl]-3,4,6-tri-O-acetyl-2-deoxy-2-iodo-.alpha.D-mannopyranoside
SpectraBase Compound ID L1Ps971Po3B
InChI InChI=1S/C21H29IO8Si/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/h1,16-21H,9,12H2,2-7H3/t16?,17-,18+,19-,20-,21+/m1/s1
InChIKey AOGGMGGPEMXEBD-KFNRKUPTSA-N
Mol Weight 564.44 g/mol
Molecular Formula C21H29IO8Si
Exact Mass 564.067639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oDo4odNoW
Name [(3R)-1-Trimethylsilyl-hexa-1,5-diyn-3-yl]-3,4,6-tri-O-acetyl-2-deoxy-2-iodo-.alpha.D-mannopyranoside
Alternate Name(s) [(3S)-1-Trimethylsilyl-hexa-1,5-diyn-3-yl]-3,4,6-tri-O-acetyl-2-deoxy-2-iodo-.alpha.D-mannopyranoside (1S)-1-[(trimethylsilyl)ethynyl]-3-butynyl 3,4,6-tri-O-acetyl-2-deoxy-2-iodo-.alpha.-D-mannopyranoside (1R)-1-[(trimethylsilyl)ethynyl]-3-butynyl 3,4,6-tri-O-acetyl-2-deoxy-2-iodo-.alpha.-D-mannopyranoside
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Formula C21H29IO8Si
InChI InChI=1S/C21H29IO8Si/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/h1,16-21H,9,12H2,2-7H3/t16?,17-,18+,19-,20-,21+/m1/s1
InChIKey AOGGMGGPEMXEBD-KFNRKUPTSA-N
Molecular Weight 564.444 g/mol
SMILES [C@@]1([C@@]([C@@](OC(C#C[Si](C)(C)C)CC#C)(O[C@@]([C@]1(OC(=O)C)[H])(COC(=O)C)[H])[H])(I)[H])(OC(=O)C)[H]
SPLASH splash10-007a-8339000000-b49dec9e5e47771b5404
Source of Spectrum F-51-7400-39
Wiley ID 792533