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(1S,2S,3R,4R,6S)-4-(ACETOXYMETHYL)-6-(4-PENTYL-1H-1,2,3-TRIAZOL-1-YL)-CYCLOHEXANE-1,2,3-TRIYL-TRIACETATE
SpectraBase Compound ID 8qtW1DdtFZL
InChI InChI=1S/C22H33N3O8/c1-6-7-8-9-18-11-25(24-23-18)19-10-17(12-30-13(2)26)20(31-14(3)27)22(33-16(5)29)21(19)32-15(4)28/h11,17,19-22H,6-10,12H2,1-5H3/t17-,19+,20-,21+,22+/m1/s1
InChIKey PSSZNOLNJBTFSZ-YYDGMXKLSA-N
Mol Weight 467.5 g/mol
Molecular Formula C22H33N3O8
Exact Mass 467.226765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XEniuWesLj
Name (1S,2S,3R,4R,6S)-4-(ACETOXYMETHYL)-6-(4-PENTYL-1H-1,2,3-TRIAZOL-1-YL)-CYCLOHEXANE-1,2,3-TRIYL-TRIACETATE
Compound Number 13H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H33N3O8
InChI InChI=1S/C22H33N3O8/c1-6-7-8-9-18-11-25(24-23-18)19-10-17(12-30-13(2)26)20(31-14(3)27)22(33-16(5)29)21(19)32-15(4)28/h11,17,19-22H,6-10,12H2,1-5H3/t17-,19+,20-,21+,22+/m1/s1
InChIKey PSSZNOLNJBTFSZ-YYDGMXKLSA-N
Literature Reference Author L.JI,G.Q.ZHOU,C.QIAN,X.Z.CHEN
Literature Reference Citation EUR.J.ORG.CHEM.,2014,3622(2014)
Literature Reference DOI 10.1002/ejoc.201301874
Molecular Weight 467.519 g/mol
Solvent CDCl3
Source File Reference UWIR18512