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(3S,4S,5S)-3-hexadecyl-4-o-mesyl-5-methyldihydro-2(3H)-furanone
SpectraBase Compound ID BTDT8lRKq81
InChI InChI=1S/C22H42O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(27-28(3,24)25)19(2)26-22(20)23/h19-21H,4-18H2,1-3H3/t19-,20-,21+/m0/s1
InChIKey NEAWSBQGJUCKKX-PCCBWWKXSA-N
Mol Weight 418.6 g/mol
Molecular Formula C22H42O5S
Exact Mass 418.275296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jQ8UFXMEkp
Name (3S,4S,5S)-3-hexadecyl-4-o-mesyl-5-methyldihydro-2(3H)-furanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H42O5S
InChI InChI=1S/C22H42O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(27-28(3,24)25)19(2)26-22(20)23/h19-21H,4-18H2,1-3H3/t19-,20-,21+/m0/s1
InChIKey NEAWSBQGJUCKKX-PCCBWWKXSA-N
Molecular Weight 418.633 g/mol
SMILES [C@@]1(OS(=O)(=O)C)([C@@](C(=O)O[C@]1(C)[H])(CCCCCCCCCCCCCCCC)[H])[H]
SPLASH splash10-0007-9301000000-cd568022ce086e11bbe3
Source of Spectrum F-44-5143-16
Synonyms (2S,3S,4S)-4-hexadecyl-2-methyl-5-oxooxolan-3-yl methanesulfonate
Wiley ID 1377177