(4S,5R,1'E)-2,2-Dimethyl-5-methanesulfonyloxy-4-pentadec-1'-enyl-[1,3]dioxane

SpectraBase Compound ID	DkHNWgUSs2a
InChI	InChI=1S/C22H42O5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(27-28(4,23)24)19-25-22(2,3)26-20/h17-18,20-21H,5-16,19H2,1-4H3/b18-17+/t20-,21+/m0/s1
InChIKey	WATPGOIXHMWUFW-BWMVHVDHSA-N Google Search
Mol Weight	418.6 g/mol
Molecular Formula	C22H42O5S
Exact Mass	418.275296 g/mol

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SpectraBase Spectrum ID	5XkH2UPsD69
Name	(4S,5R,1'E)-2,2-Dimethyl-5-methanesulfonyloxy-4-pentadec-1'-enyl-[1,3]dioxane
Alternate Name(s)	(4S,5R)-2,2-dimethyl-4-[(1E)-1-pentadecenyl]-1,3-dioxan-5-yl methanesulfonate Methanesulfonic acid[(4S,5R)-2,2-dimethyl-4-[(E)-pentadec-1-enyl]-1,3-dioxan-5-yl]ester [(4S,5R)-2,2-dimethyl-4-[(E)-pentadec-1-enyl]-1,3-dioxan-5-yl]methanesulfonate [(4S,5R)-2,2-dimethyl-4-[(E)-pentadec-1-enyl]-1,3-dioxan-5-yl] methanesulfonate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H42O5S
InChI	InChI=1S/C22H42O5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(27-28(4,23)24)19-25-22(2,3)26-20/h17-18,20-21H,5-16,19H2,1-4H3/b18-17+/t20-,21+/m0/s1
InChIKey	WATPGOIXHMWUFW-BWMVHVDHSA-N
Molecular Weight	418.633 g/mol
SMILES	[C@@]1(OS(=O)(=O)C)([C@@](OC(OC1)(C)C)(\C=C\CCCCCCCCCCCCC)[H])[H]
SPLASH	splash10-001i-0090100000-a6a3e912e7e501bf1bb9
Source of Spectrum	QE-1-386-8
Wiley ID	842418