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DL-Mannitol, 2,5-anhydro-4,6-dideoxy-4-methyl-2-C-methyl-3-S-phenyl-1-O-(phenylmethyl)-3-thio-
SpectraBase Compound ID D8OmxeC37hX
InChI InChI=1S/C21H26O2S/c1-16-17(2)23-21(3,15-22-14-18-10-6-4-7-11-18)20(16)24-19-12-8-5-9-13-19/h4-13,16-17,20H,14-15H2,1-3H3/t16-,17-,20-,21+/m0/s1
InChIKey OIEAOAXXORXDTQ-IDPBPBMLSA-N
Mol Weight 342.5 g/mol
Molecular Formula C21H26O2S
Exact Mass 342.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8uS0s1IJYvr
Name DL-Mannitol, 2,5-anhydro-4,6-dideoxy-4-methyl-2-C-methyl-3-S-phenyl-1-O-(phenylmethyl)-3-thio-
CAS Registry Number 106345-42-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O2S
InChI InChI=1S/C21H26O2S/c1-16-17(2)23-21(3,15-22-14-18-10-6-4-7-11-18)20(16)24-19-12-8-5-9-13-19/h4-13,16-17,20H,14-15H2,1-3H3/t16-,17-,20-,21+/m0/s1
InChIKey OIEAOAXXORXDTQ-IDPBPBMLSA-N
Molecular Weight 342.497 g/mol
SMILES [C@@]1([C@]([C@@](C)([C@@](O1)(C)[H])[H])(Sc1ccccc1)[H])(COCc1ccccc1)C
SPLASH splash10-0006-9000000000-ec8955eee724374b15e1
Source of Spectrum F-42-3019-33
Synonyms (+-)-(2R*,3S*,4S*,5S*)-2-[(benzyloxy)methyl]-tetrahydro-2,4,5-trimethyl-3-(phenylthio)furan 2,5-anhydro-6-O-benzyl-1,3-dideoxy-3,5-dimethyl-4-S-phenyl-4-thio-D-allitol
Wiley ID 1336776