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18-[5-[[(1-PHENYLTHIO)-METHYL]-1H-1,2,3-TRIAZOL-4-YL]-PENTANOYLOXY]-8,11,13-ABIETATRIENE
SpectraBase Compound ID D70XoDfLg3P
InChI InChI=1S/C34H45N3O2S/c1-25(2)26-15-17-30-27(21-26)16-18-31-33(3,19-10-20-34(30,31)4)23-39-32(38)14-9-8-11-28-22-37(36-35-28)24-40-29-12-6-5-7-13-29/h5-7,12-13,15,17,21-22,25,31H,8-11,14,16,18-20,23-24H2,1-4H3/t31-,33-,34+/m0/s1
InChIKey KRANKYJCVUVRBS-FZCBKRAZSA-N
Mol Weight 559.8 g/mol
Molecular Formula C34H45N3O2S
Exact Mass 559.323249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mg6d4KQ8xY
Name 18-[5-[[(1-PHENYLTHIO)-METHYL]-1H-1,2,3-TRIAZOL-4-YL]-PENTANOYLOXY]-8,11,13-ABIETATRIENE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H45N3O2S
InChI InChI=1S/C34H45N3O2S/c1-25(2)26-15-17-30-27(21-26)16-18-31-33(3,19-10-20-34(30,31)4)23-39-32(38)14-9-8-11-28-22-37(36-35-28)24-40-29-12-6-5-7-13-29/h5-7,12-13,15,17,21-22,25,31H,8-11,14,16,18-20,23-24H2,1-4H3/t31-,33-,34+/m0/s1
InChIKey KRANKYJCVUVRBS-FZCBKRAZSA-N
Literature Reference Author M.W.PERTINO,V.VERDUGO,C.THEODULOZ,G.SCHMEDA-HIRSCHMANN
Literature Reference Citation MOLECULES,19,2523(2014)
Literature Reference DOI 10.3390/molecules19022523
Molecular Weight 559.810 g/mol
Solvent CDCl3
Source File Reference UWBT14368