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PHENYL-4-O-CYCLOHEXYLCARBAMOYL-6-DEOXY-(R)-2,3-O-(2,2,2-TRICHLOROETHYLIDENE)-1-THIO-BETA-L-GULOPYRANOSIDE
SpectraBase Compound ID 8Snt7O3vcQO
InChI InChI=1S/C21H26Cl3NO5S/c1-12-15(30-20(26)25-13-8-4-2-5-9-13)16-17(29-19(28-16)21(22,23)24)18(27-12)31-14-10-6-3-7-11-14/h3,6-7,10-13,15-19H,2,4-5,8-9H2,1H3,(H,25,26)/t12-,15+,16-,17-,18+,19-/m0/s1
InChIKey VPFNMEZQEXADEI-PMBYUEKTSA-N
Mol Weight 510.86 g/mol
Molecular Formula C21H26Cl3NO5S
Exact Mass 509.059727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GJrllTdxCEj
Name PHENYL-4-O-CYCLOHEXYLCARBAMOYL-6-DEOXY-(R)-2,3-O-(2,2,2-TRICHLOROETHYLIDENE)-1-THIO-BETA-L-GULOPYRANOSIDE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26Cl3NO5S
InChI InChI=1S/C21H26Cl3NO5S/c1-12-15(30-20(26)25-13-8-4-2-5-9-13)16-17(29-19(28-16)21(22,23)24)18(27-12)31-14-10-6-3-7-11-14/h3,6-7,10-13,15-19H,2,4-5,8-9H2,1H3,(H,25,26)/t12-,15+,16-,17-,18+,19-/m0/s1
InChIKey VPFNMEZQEXADEI-PMBYUEKTSA-N
Literature Reference Author T.G.FRIHED,C.M.PEDERSEN,M.BOLS
Literature Reference Citation EUR.J.ORG.CHEM.,2014,7924(2014)
Literature Reference DOI 10.1002/ejoc.201403074
Molecular Weight 510.860 g/mol
Solvent CDCl3
Source File Reference UWIR20107