For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

D-erythro-.alpha.-D-galacto-Octopyranoside, 2-[(2-hydroxybenzoyl)oxy]ethyl 6,8-dideoxy-7-O-methyl-6-[[(1-methyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, (S)-

View entire compound with spectra: 1 MS (GC)

D-erythro-.alpha.-D-galacto-Octopyranoside, 2-[(2-hydroxybenzoyl)oxy]ethyl 6,8-dideoxy-7-O-methyl-6-[[(1-methyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, (S)-
SpectraBase Compound ID GCMBdUMRyJk
InChI InChI=1S/C24H36N2O9S/c1-13(33-3)17(25-22(31)15-8-6-10-26(15)2)21-19(29)18(28)20(30)24(35-21)36-12-11-34-23(32)14-7-4-5-9-16(14)27/h4-5,7,9,13,15,17-21,24,27-30H,6,8,10-12H2,1-3H3,(H,25,31)
InChIKey VMSQKUCYEMOKMM-UHFFFAOYSA-N
Mol Weight 528.6 g/mol
Molecular Formula C24H36N2O9S
Exact Mass 528.214152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6gOT8nIRbd
Name D-erythro-.alpha.-D-galacto-Octopyranoside, 2-[(2-hydroxybenzoyl)oxy]ethyl 6,8-dideoxy-7-O-methyl-6-[[(1-methyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, (S)-
Alternate Name(s) 2-[(6,8-Dideoxy-7-O-methyl-6-([(1-methyl-2-pyrrolidinyl)carbonyl]amino)octopyranosyl)thio]ethyl salicylate 2-Hydroxybenzoic acid 2-[[3,4,5-trihydroxy-6-[1-(hygroylamino)-2-methoxy-propyl]tetrahydropyran-2-yl]thio]ethyl ester 2-Hydroxybenzoic acid 2-[[3,4,5-trihydroxy-6-[2-methoxy-1-[[(1-methyl-2-pyrrolidinyl)-oxomethyl]amino]propyl]-2-oxanyl]thio]ethyl ester 2-[3,4,5-trihydroxy-6-[2-methoxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate 2-[3,4,5-trihydroxy-6-[2-methoxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]tetrahydropyran-2-yl]sulfanylethyl 2-hydroxybenzoate 2-[6-[2-methoxy-1-[(1-methylpyrrolidin-2-yl)carbonylamino]propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylethyl 2-oxidanylbenzoate Celesticetin D-erythro-.alpha.-D-galacto-octopyranoside, 2-[(2-hydroxybenzoyl)oxy]ethyl6,8-dideoxy-7-O-methyl-6-[[[(2S)-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio- BRN 0068470 NSC 9147 U-5524
CAS Registry Number 2520-21-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36N2O9S
InChI InChI=1S/C24H36N2O9S/c1-13(33-3)17(25-22(31)15-8-6-10-26(15)2)21-19(29)18(28)20(30)24(35-21)36-12-11-34-23(32)14-7-4-5-9-16(14)27/h4-5,7,9,13,15,17-21,24,27-30H,6,8,10-12H2,1-3H3,(H,25,31)
InChIKey VMSQKUCYEMOKMM-UHFFFAOYSA-N
Molecular Weight 528.617 g/mol
SMILES N(C(C1OC(SCCOC(c2c(cccc2)O)=O)C(C(C1O)O)O)C(C)OC)C(=O)C1CCCN1C
SPLASH splash10-001i-9100000000-8a2dc05828ded95559d7
Source of Spectrum W5-37084-28452-28452
Wiley ID 1403032