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(2R,3R,4R)-2,4-Di-O-methylsulfonyl-1,3-O-ethylideneoctadeca-6-yne-1,2,3,4-tetraol
SpectraBase Compound ID KEK4p5wCgq0
InChI InChI=1S/C22H40O8S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(29-31(3,23)24)22-21(30-32(4,25)26)18-27-19(2)28-22/h19-22H,5-14,17-18H2,1-4H3/t19?,20-,21-,22-/m1/s1
InChIKey ZTSDWONECJJVST-QPVBMBBTSA-N
Mol Weight 496.7 g/mol
Molecular Formula C22H40O8S2
Exact Mass 496.216461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DR2TWf6U056
Name (2R,3R,4R)-2,4-Di-O-methylsulfonyl-1,3-O-ethylideneoctadeca-6-yne-1,2,3,4-tetraol
Alternate Name(s) (1R)-1-{(4R,5R)-2-methyl-5-[(methylsulfonyl)oxy]-1,3-dioxan-4-yl}-3-pentadecynyl methanesulfonate Trifluoro-methanesulfonic acid 4-((R)-1-hydroxy-5-methyl-pentadec-3-ynyl)-2-methyl-[1,3]dioxan-5-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H40O8S2
InChI InChI=1S/C22H40O8S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(29-31(3,23)24)22-21(30-32(4,25)26)18-27-19(2)28-22/h19-22H,5-14,17-18H2,1-4H3/t19?,20-,21-,22-/m1/s1
InChIKey ZTSDWONECJJVST-QPVBMBBTSA-N
Molecular Weight 496.674 g/mol
SMILES [C@@]1(OS(=O)(=O)C)([C@](OC(OC1)C)([C@](OS(=O)(=O)C)(CC#CCCCCCCCCCCC)[H])[H])[H]
SPLASH splash10-014i-9021500000-3ec105f4e03ab670d037
Source of Spectrum KC-0-1561-9
Wiley ID 784106