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Lincomycin
SpectraBase Compound ID CvGSq8byK0X
InChI InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9?,10-,11?,12+,13+,14-,15-,16?,18-/m1/s1
InChIKey OJMMVQQUTAEWLP-QAYBRCNNSA-N
Mol Weight 406.5 g/mol
Molecular Formula C18H34N2O6S
Exact Mass 406.213758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEShM14qgzI
Name Lincomycin
CAS Registry Number 154-21-2
Classification Protein synthesis inhibitor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 406.213757991 u
Formula C18H34N2O6S
InChI InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9?,10-,11?,12+,13+,14-,15-,16?,18-/m1/s1
InChIKey OJMMVQQUTAEWLP-QAYBRCNNSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 406.538 g/mol
Nominal Mass 406 u
Quality 991
Retention Index 3045
SMILES OC([C@@](C1[C@@]([C@@]([C@]([C@](O1)(SC)[H])(O)[H])(O)[H])(O)[H])(NC(C1N(C[C@@](C1)(CCC)[H])C)=O)[H])C
SPLASH splash10-004i-2900000000-64dfe86a808d2db04eb0
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Cillimycin Lincolnensin (2S,4R)-N-((1S)-2-hydroxy-1-((3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylthiooxan-2-yl)propyl)-\r1-methyl-4-propylpyrrolidine-2-carboxamide
Technique GC/MS
Wiley ID DD2024_012022