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.alpha.-L-Mannopyranoside, methyl 3,6-dideoxy-3-[[(4-methylphenyl)sulfonyl]amino]-, 4-benzoate
SpectraBase Compound ID EjAsGrsAKPB
InChI InChI=1S/C21H25NO7S/c1-13-9-11-16(12-10-13)30(25,26)22-17-18(23)21(27-3)28-14(2)19(17)29-20(24)15-7-5-4-6-8-15/h4-12,14,17-19,21-23H,1-3H3/t14-,17-,18+,19-,21+/m0/s1
InChIKey ZAAVDMMWZQUYLM-SZCFVHRKSA-N
Mol Weight 435.49 g/mol
Molecular Formula C21H25NO7S
Exact Mass 435.135173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eLzobhHijo
Name .alpha.-L-Mannopyranoside, methyl 3,6-dideoxy-3-[[(4-methylphenyl)sulfonyl]amino]-, 4-benzoate
Alternate Name(s) Methyl 4-O-benzoyl-3,6-dideoxy-3-{[(4-methylphenyl)sulfonyl]amino}-.alpha.-L-mannopyranoside Methyl-4-O-benzoyl-3,6-didesoxy-3-(4-methylphenylsulfonylamino)-.alpha.-L-mannopyranoside
CAS Registry Number 78294-27-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO7S
InChI InChI=1S/C21H25NO7S/c1-13-9-11-16(12-10-13)30(25,26)22-17-18(23)21(27-3)28-14(2)19(17)29-20(24)15-7-5-4-6-8-15/h4-12,14,17-19,21-23H,1-3H3/t14-,17-,18+,19-,21+/m0/s1
InChIKey ZAAVDMMWZQUYLM-SZCFVHRKSA-N
Molecular Weight 435.491 g/mol
SMILES N([C@]1([C@]([C@@](O[C@]([C@@]1(OC(=O)c1ccccc1)[H])(C)[H])(OC)[H])(O)[H])[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0bt9-1970000000-08236b4abe8d1325ab96
Source of Spectrum K-114-1816-0
Wiley ID 1383219