(2S,4R)-3-acetyl-2-[(1S,2R,3R)-1,2,3,4-tetraacetoxybutyl]thiazolidine-4-carboxylic acid methyl ester

SpectraBase Compound ID	3GBEVsBb5ld
InChI	InChI=1S/C19H27NO11S/c1-9(21)20-14(19(26)27-6)8-32-18(20)17(31-13(5)25)16(30-12(4)24)15(29-11(3)23)7-28-10(2)22/h14-18H,7-8H2,1-6H3/t14-,15+,16+,17-,18-/m0/s1
InChIKey	WXEUINBQJQHTDK-PNKHAZJDSA-N Google Search
Mol Weight	477.48 g/mol
Molecular Formula	C19H27NO11S
Exact Mass	477.130482 g/mol

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SpectraBase Spectrum ID	1zw7c4qHyBh
Name	(2S,4R)-3-Acetyl-2-[(1S,2R,3R)-1,2,3,4-tetraacetoxybutyl]thiazolidine-4-carboxylic acid methyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	477.130481856 u
Formula	C19H27NO11S
InChI	InChI=1S/C19H27NO11S/c1-9(21)20-14(19(26)27-6)8-32-18(20)17(31-13(5)25)16(30-12(4)24)15(29-11(3)23)7-28-10(2)22/h14-18H,7-8H2,1-6H3/t14-,15+,16+,17-,18-/m0/s1
InChIKey	WXEUINBQJQHTDK-PNKHAZJDSA-N
Molecular Weight	477.481 g/mol
SMILES	COC([C@]1(N([C@]([C@]([C@@]([C@](OC(=O)C)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(SC1)[H])C(=O)C)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.983024