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(1'S,2'S)-Ethyl 6-O-benzoyl-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-1-thio-.alpha.,D-mannopyranoside
SpectraBase Compound ID 3zJV2gvtq2m
InChI InChI=1S/C23H32O8S/c1-4-32-21-17(24)19-18(16(29-21)14-28-20(25)15-10-6-5-7-11-15)30-22(26-2)12-8-9-13-23(22,27-3)31-19/h5-7,10-11,16-19,21,24H,4,8-9,12-14H2,1-3H3/t16-,17+,18-,19-,21-,22+,23+/m1/s1
InChIKey UWXCSYSKIWWXAM-UCKAWJCSSA-N
Mol Weight 468.6 g/mol
Molecular Formula C23H32O8S
Exact Mass 468.181789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2RCCt8h7eL
Name (1'S,2'S)-Ethyl 6-O-benzoyl-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-1-thio-.alpha.,D-mannopyranoside
Alternate Name(s) [(1R,3R,4S,4aR,5aS,9aS,10aR)-3-(ethylsulfanyl)-4-hydroxy-5a,9a-dimethoxydecahydro-1H-pyrano[3,4-b][1,4]benzodioxin-1-yl]methyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O8S
InChI InChI=1S/C23H32O8S/c1-4-32-21-17(24)19-18(16(29-21)14-28-20(25)15-10-6-5-7-11-15)30-22(26-2)12-8-9-13-23(22,27-3)31-19/h5-7,10-11,16-19,21,24H,4,8-9,12-14H2,1-3H3/t16-,17+,18-,19-,21-,22+,23+/m1/s1
InChIKey UWXCSYSKIWWXAM-UCKAWJCSSA-N
Molecular Weight 468.561 g/mol
SMILES O[C@]1([C@@]2([C@](O[C@@]3([C@](O2)(OC)CCCC3)OC)([C@@](COC(=O)c2ccccc2)(O[C@@]1(SCC)[H])[H])[H])[H])[H]
SPLASH splash10-0zfr-0800900000-23b7946da3dfa35aa5df
Source of Spectrum KC-0-360-33
Wiley ID 787239