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(2S,4R)-3-acetyl-5,5-dimethyl-2-[(1S,2R,3R,4S)-1,2,3,4,5-pentaacetoxypentyl]thiazolidine-4-carboxylic acid

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(2S,4R)-3-acetyl-5,5-dimethyl-2-[(1S,2R,3R,4S)-1,2,3,4,5-pentaacetoxypentyl]thiazolidine-4-carboxylic acid
SpectraBase Compound ID BIhQkRuyioL
InChI InChI=1S/C23H33NO13S/c1-10(25)24-20(22(31)32)23(7,8)38-21(24)19(37-15(6)30)18(36-14(5)29)17(35-13(4)28)16(34-12(3)27)9-33-11(2)26/h16-21H,9H2,1-8H3,(H,31,32)/t16-,17+,18+,19-,20+,21-/m0/s1
InChIKey NJWBLNHSCNEHRE-VXAANUECSA-N
Mol Weight 563.6 g/mol
Molecular Formula C23H33NO13S
Exact Mass 563.167261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvbQKsjD8pX
Name (2S,4R)-3-acetyl-5,5-dimethyl-2-[(1S,2R,3R,4S)-1,2,3,4,5-pentaacetoxypentyl]thiazolidine-4-carboxylic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33NO13S
InChI InChI=1S/C23H33NO13S/c1-10(25)24-20(22(31)32)23(7,8)38-21(24)19(37-15(6)30)18(36-14(5)29)17(35-13(4)28)16(34-12(3)27)9-33-11(2)26/h16-21H,9H2,1-8H3,(H,31,32)/t16-,17+,18+,19-,20+,21-/m0/s1
InChIKey NJWBLNHSCNEHRE-VXAANUECSA-N
Molecular Weight 563.571 g/mol
SMILES OC([C@]1(N([C@]([C@]([C@@]([C@@]([C@@](OC(=O)C)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(SC1(C)C)[H])C(=O)C)[H])=O
SPLASH splash10-0006-9700000000-d021c580f08560503615
Source of Spectrum AD-0-2532-0
Synonyms (2S,4R)-3-acetyl-5,5-dimethyl-2-[(1S,2R,3R,4S)-1,2,3,4,5-pentaacetyloxypentyl]-1,3-thiazolidine-4-carboxylic acid (2S,4R)-3-acetyl-5,5-dimethyl-2-[(1S,2R,3R,4S)-1,2,3,4,5-pentaacetyloxypentyl]-4-thiazolidinecarboxylic acid (2S,4R)-3-ethanoyl-5,5-dimethyl-2-[(1S,2R,3R,4S)-1,2,3,4,5-pentaacetyloxypentyl]-1,3-thiazolidine-4-carboxylic acid
Wiley ID 1430436