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2,5-Pyridinediol, 1-acetyl-4-(1,1-dimethylethyl)-6-[(1,1-dimethylethyl)thio]-1,2,5,6-tetrahydro-, 5-acetate, (2.alpha.,5.beta.,6.alpha.)-

View entire compound with spectra: 1 MS (GC)

2,5-Pyridinediol, 1-acetyl-4-(1,1-dimethylethyl)-6-[(1,1-dimethylethyl)thio]-1,2,5,6-tetrahydro-, 5-acetate, (2.alpha.,5.beta.,6.alpha.)-
SpectraBase Compound ID Ds09KMxQ31v
InChI InChI=1S/C17H29NO4S/c1-10(19)18-13(21)9-12(16(3,4)5)14(22-11(2)20)15(18)23-17(6,7)8/h9,13-15,21H,1-8H3/t13-,14-,15+/m0/s1
InChIKey RDKPGEBDOMRWIV-SOUVJXGZSA-N
Mol Weight 343.48 g/mol
Molecular Formula C17H29NO4S
Exact Mass 343.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHQWbZlYdSu
Name 2,5-Pyridinediol, 1-acetyl-4-(1,1-dimethylethyl)-6-[(1,1-dimethylethyl)thio]-1,2,5,6-tetrahydro-, 5-acetate, (2.alpha.,5.beta.,6.alpha.)-
CAS Registry Number 61155-40-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29NO4S
InChI InChI=1S/C17H29NO4S/c1-10(19)18-13(21)9-12(16(3,4)5)14(22-11(2)20)15(18)23-17(6,7)8/h9,13-15,21H,1-8H3/t13-,14-,15+/m0/s1
InChIKey RDKPGEBDOMRWIV-SOUVJXGZSA-N
Molecular Weight 343.482 g/mol
SMILES O[C@@]1(N([C@@]([C@@](OC(=O)C)(C(=C1)C(C)(C)C)[H])(SC(C)(C)C)[H])C(=O)C)[H]
SPLASH splash10-0006-5910000000-42ec01ffb3168765490b
Source of Spectrum Y-13-867-0
Synonyms (2R,3S,6S)-1-acetyl-4-tert-butyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydro-3-pyridinyl acetate 1-Acetyl-2-t-butylthio-3-acetoxy-4-t-butyl-6-hydroxy-1,2,3,6-tetrahydropyridine
Wiley ID 1337217