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D-erythro-.alpha.-D-galacto-Octopyranoside, ethyl 6,8-dideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, (2S-trans)-
SpectraBase Compound ID T8yNyz6KVV
InChI InChI=1S/C19H36N2O6S/c1-5-7-11-8-12(21(4)9-11)18(26)20-13(10(3)22)17-15(24)14(23)16(25)19(27-17)28-6-2/h10-17,19,22-25H,5-9H2,1-4H3,(H,20,26)/t10-,11-,12+,13-,14+,15-,16-,17-,19-/m1/s1
InChIKey GNPWCZOXLLXPNA-RETOTEICSA-N
Mol Weight 420.6 g/mol
Molecular Formula C19H36N2O6S
Exact Mass 420.229408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GadOgiyQIBj
Name D-erythro-.alpha.-D-galacto-Octopyranoside, ethyl 6,8-dideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, (2S-trans)-
CAS Registry Number 14042-43-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36N2O6S
InChI InChI=1S/C19H36N2O6S/c1-5-7-11-8-12(21(4)9-11)18(26)20-13(10(3)22)17-15(24)14(23)16(25)19(27-17)28-6-2/h10-17,19,22-25H,5-9H2,1-4H3,(H,20,26)/t10-,11-,12+,13-,14+,15-,16-,17-,19-/m1/s1
InChIKey GNPWCZOXLLXPNA-RETOTEICSA-N
Molecular Weight 420.565 g/mol
SMILES O[C@@]1([C@@]([C@]([C@](O[C@@]1([C@@]([C@](O)(C)[H])(NC([C@]1(N(C[C@@](C1)(CCC)[H])C)[H])=O)[H])[H])(SCC)[H])(O)[H])(O)[H])[H]
SPLASH splash10-004i-0900000000-ccf05614279f325da7a2
Source of Spectrum OS-6-466-0
Synonyms D-erythro-D-galacto-octopyranoside, ethyl 6,8-dideoxy-6-(1-methyl-4-propyl-2-pyrrolidinecarboxamido)-1-thio- D-erythro-D-galacto-octopyranoside, ethyl 6,8-dideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, trans- .alpha.- Ethyl 7,8-dideoxy-7-{[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino}-1-thiooctopyranoside Lincomycin C S-demethyl-S-ethyllincomycin S-ethyllincomycin
Wiley ID 1377824