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D-erythro-.alpha.-D-galacto-Octopyranoside, methyl 6,8-dideoxy-7-O-methyl-6-[[[1-methyl-4-(1-methylethyl)-2-pyrrolidinyl]carbonyl]amino]-1-thio-, (2S-trans)-
SpectraBase Compound ID 9az19NHQ48t
InChI InChI=1S/C19H36N2O6S/c1-9(2)11-7-12(21(4)8-11)18(25)20-13(10(3)26-5)17-15(23)14(22)16(24)19(27-17)28-6/h9-17,19,22-24H,7-8H2,1-6H3,(H,20,25)/t10-,11-,12+,13-,14+,15-,16-,17-,19-/m1/s1
InChIKey HKNYKUFDQDEDGV-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 BZEz9RaiD0V
Name D-erythro-.alpha.-D-galacto-Octopyranoside, methyl 6,8-dideoxy-7-O-methyl-6-[[[1-methyl-4-(1-methylethyl)-2-pyrrolidinyl]carbonyl]amino]-1-thio-, (2S-trans)-
Alternate Name(s) Methyl 7,8-dideoxy-7-{[(4-isopropyl-1-methyl-2-pyrrolidinyl)carbonyl]amino}-6-O-methyl-1-thiooctopyranoside
CAS Registry Number 57174-25-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36N2O6S
InChI InChI=1S/C19H36N2O6S/c1-9(2)11-7-12(21(4)8-11)18(25)20-13(10(3)26-5)17-15(23)14(22)16(24)19(27-17)28-6/h9-17,19,22-24H,7-8H2,1-6H3,(H,20,25)/t10-,11-,12+,13-,14+,15-,16-,17-,19-/m1/s1
InChIKey HKNYKUFDQDEDGV-RETOTEICSA-N
Molecular Weight 420.565 g/mol
SMILES O[C@@]1([C@@]([C@]([C@](O[C@@]1([C@](NC([C@]1(N(C[C@@](C1)(C(C)C)[H])C)[H])=O)([C@](OC)(C)[H])[H])[H])(SC)[H])(O)[H])(O)[H])[H]
SPLASH splash10-004i-0930000000-772ed84851b924426427
Source of Spectrum OS-6-474-0
Wiley ID 1377823