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(2''R/S)-3,7-ANHYDRO-1,2-DIDEOXY-1-[1-(THIOLAN-2-YL)-CYTOSIN-5-YL]-D-GLYCERO-D-GALACTO-OCTITOL
SpectraBase Compound ID K85XQs3yWKO
InChI InChI=1S/2C16H25N3O6S/c2*17-15-8(6-19(16(24)18-15)11-2-1-5-26-11)3-4-9-12(21)14(23)13(22)10(7-20)25-9/h2*6,9-14,20-23H,1-5,7H2,(H2,17,18,24)/t9-,10+,11+,12-,13-,14+;9-,10+,11-,12-,13-,14+/m00/s1
InChIKey FWZLUDPEDREGPA-CQUSOUGDSA-N
Mol Weight 774.9 g/mol
Molecular Formula C32H50N6O12S2
Exact Mass 774.292813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6BOIsgP8fAv
Name (2''R/S)-3,7-ANHYDRO-1,2-DIDEOXY-1-[1-(THIOLAN-2-YL)-CYTOSIN-5-YL]-D-GLYCERO-D-GALACTO-OCTITOL
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H50N6O12S2
InChI InChI=1S/2C16H25N3O6S/c2*17-15-8(6-19(16(24)18-15)11-2-1-5-26-11)3-4-9-12(21)14(23)13(22)10(7-20)25-9/h2*6,9-14,20-23H,1-5,7H2,(H2,17,18,24)/t9-,10+,11+,12-,13-,14+;9-,10+,11-,12-,13-,14+/m00/s1
InChIKey FWZLUDPEDREGPA-CQUSOUGDSA-N
Literature Reference Author A.P.SCHUETZ,S.LOCHER,B.BERNET,B.ILLARIONOV,M.FISCHER,A.BACHE R,F.DIEDERICH
Literature Reference Citation EUR.J.ORG.CHEM.,2013,880(2013)
Literature Reference DOI 10.1002/ejoc.201201454
Molecular Weight 774.902 g/mol
Solvent CDCl3:CD3OD=1:1
Source File Reference UWBT17448