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18-[5-[1-(4-TOLUENESULFONYL)-1H-1,2,3-TRIAZOL-4-YL]-PENTANOYLOXY]-8,11,13-ABIETATRIENE
SpectraBase Compound ID 7mrn7mWx9Df
InChI InChI=1S/C34H45N3O4S/c1-24(2)26-13-17-30-27(21-26)14-18-31-33(4,19-8-20-34(30,31)5)23-41-32(38)10-7-6-9-28-22-37(36-35-28)42(39,40)29-15-11-25(3)12-16-29/h11-13,15-17,21-22,24,31H,6-10,14,18-20,23H2,1-5H3/t31-,33-,34+/m0/s1
InChIKey SJDBKJZNCMRKNZ-FZCBKRAZSA-N
Mol Weight 591.8 g/mol
Molecular Formula C34H45N3O4S
Exact Mass 591.313078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IcvSKpx7GOX
Name 18-[5-[1-(4-TOLUENESULFONYL)-1H-1,2,3-TRIAZOL-4-YL]-PENTANOYLOXY]-8,11,13-ABIETATRIENE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H45N3O4S
InChI InChI=1S/C34H45N3O4S/c1-24(2)26-13-17-30-27(21-26)14-18-31-33(4,19-8-20-34(30,31)5)23-41-32(38)10-7-6-9-28-22-37(36-35-28)42(39,40)29-15-11-25(3)12-16-29/h11-13,15-17,21-22,24,31H,6-10,14,18-20,23H2,1-5H3/t31-,33-,34+/m0/s1
InChIKey SJDBKJZNCMRKNZ-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 591.809 g/mol
Solvent CDCl3
Source File Reference UWBT14374