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18-[5-(1-PHENYL-1H-1,2,3-TRIAZOL-4-YL)-PENTANOYLOXY]-8,11,13-ABIETATRIENE
SpectraBase Compound ID Dw0FQDTAgMt
InChI InChI=1S/C33H43N3O2/c1-24(2)25-15-17-29-26(21-25)16-18-30-32(3,19-10-20-33(29,30)4)23-38-31(37)14-9-8-11-27-22-36(35-34-27)28-12-6-5-7-13-28/h5-7,12-13,15,17,21-22,24,30H,8-11,14,16,18-20,23H2,1-4H3/t30-,32-,33+/m0/s1
InChIKey SHPVKCDAZBCIMT-FLPLPDKSSA-N
Mol Weight 513.7 g/mol
Molecular Formula C33H43N3O2
Exact Mass 513.335528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5TCrCVqsgOb
Name 18-[5-(1-PHENYL-1H-1,2,3-TRIAZOL-4-YL)-PENTANOYLOXY]-8,11,13-ABIETATRIENE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H43N3O2
InChI InChI=1S/C33H43N3O2/c1-24(2)25-15-17-29-26(21-25)16-18-30-32(3,19-10-20-33(29,30)4)23-38-31(37)14-9-8-11-27-22-36(35-34-27)28-12-6-5-7-13-28/h5-7,12-13,15,17,21-22,24,30H,8-11,14,16,18-20,23H2,1-4H3/t30-,32-,33+/m0/s1
InChIKey SHPVKCDAZBCIMT-FLPLPDKSSA-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 513.723 g/mol
Solvent CDCl3
Source File Reference UWBT14364