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L-threo-.alpha.-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[(4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, (2S-trans)-
SpectraBase Compound ID 3ghi5oIQQjL
InChI InChI=1S/C17H31ClN2O5S/c1-4-5-9-6-10(19-7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24)
InChIKey HDBHHHCDEYATPY-UHFFFAOYSA-N
Mol Weight 410.96 g/mol
Molecular Formula C17H31ClN2O5S
Exact Mass 410.164221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxtJqCu09kw
Name L-threo-.alpha.-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[(4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, (2S-trans)-
CAS Registry Number 22431-45-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H31ClN2O5S
InChI InChI=1S/C17H31ClN2O5S/c1-4-5-9-6-10(19-7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24)
InChIKey HDBHHHCDEYATPY-UHFFFAOYSA-N
Molecular Weight 410.957 g/mol
SMILES OC1C(C(C(OC1C(NC(C1NCC(C1)CCC)=O)C(Cl)C)SC)O)O
SPLASH splash10-03di-0900000000-5b52664785d267fad027
Source of Spectrum OS-6-472-0
Synonyms 1'-Demethylclindamycin 7-Chloro-N-demethyllincomycin L-threo-D-galacto-octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-(4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, trans- .alpha.- Methyl 7-chloro-6,7,8-trideoxy-6-{[(4-propyl-2-pyrrolidinyl)carbonyl]amino}-1-thiooctopyranoside N-Demethylclindamycin U 26727A
Wiley ID 1373503