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L-threo-.alpha.-D-galacto-Octopyranose, 7-chloro-1,6,7,8-tetradeoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-(methylsulfinyl)-, (2S-trans)-
SpectraBase Compound ID 8yQgx8mOOjQ
InChI InChI=1S/C18H33ClN2O6S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(27-16)28(4)26/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12-,13-,14+,15+,16?,18+,28?/m0/s1
InChIKey XSLGFIQRVCXUEU-SMMAYIFRSA-N
Mol Weight 441.0 g/mol
Molecular Formula C18H33ClN2O6S
Exact Mass 440.174786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VyBm1y2Dvg
Name L-threo-.alpha.-D-galacto-Octopyranose, 7-chloro-1,6,7,8-tetradeoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-(methylsulfinyl)-, (2S-trans)-
CAS Registry Number 22431-46-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H33ClN2O6S
InChI InChI=1S/C18H33ClN2O6S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(27-16)28(4)26/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12-,13-,14+,15+,16?,18+,28?/m0/s1
InChIKey XSLGFIQRVCXUEU-SMMAYIFRSA-N
Molecular Weight 440.983 g/mol
SMILES N(C([C@]1(N(C[C@@](C1)(CCC)[H])C)[H])=O)[C@](C1[C@@]([C@@]([C@]([C@](O1)(S(=O)C)[H])(O)[H])(O)[H])(O)[H])([C@@](Cl)(C)[H])[H]
SPLASH splash10-004i-0901000000-aaf52e6c30ae50924a97
Source of Spectrum OS-6-473-0
Synonyms .alpha.-L-threo-D-galacto-octopyranose, 7-chloro-1,6,7,8-tetradeoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-(methylsulfinyl)-, (2S-trans)- 1,5-anhydro-7-chloro-6,7,8-trideoxy-6-{[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino}-1-(methylsulfinyl)octitol 7(S)chloro-7-deoxylincomycin sulfoxide 7-Chlorolincomycin-S-oxide Clindamycin sulfoxide Clindamycin-S-oxide L-threo-D-galacto-octopyranose, 7-chloro-1,6,7,8-tetradeoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-(methylsulfinyl)-, trans- .alpha.- U 25026A
Wiley ID 1384552