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18-[3-(1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY]-8,11,13-ABIETATRIENE
SpectraBase Compound ID 53OZCKqo2ve
InChI InChI=1S/C32H41N3O2/c1-23(2)25-11-14-28-26(19-25)12-15-29-31(3,17-8-18-32(28,29)4)22-37-30(36)16-13-27-21-35(34-33-27)20-24-9-6-5-7-10-24/h5-7,9-11,14,19,21,23,29H,8,12-13,15-18,20,22H2,1-4H3/t29-,31-,32+/m0/s1
InChIKey ZVOCWIIDJMSGFO-RUHGTMQNSA-N
Mol Weight 499.7 g/mol
Molecular Formula C32H41N3O2
Exact Mass 499.319878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fl8vk1CDLDU
Name 18-[3-(1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY]-8,11,13-ABIETATRIENE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H41N3O2
InChI InChI=1S/C32H41N3O2/c1-23(2)25-11-14-28-26(19-25)12-15-29-31(3,17-8-18-32(28,29)4)22-37-30(36)16-13-27-21-35(34-33-27)20-24-9-6-5-7-10-24/h5-7,9-11,14,19,21,23,29H,8,12-13,15-18,20,22H2,1-4H3/t29-,31-,32+/m0/s1
InChIKey ZVOCWIIDJMSGFO-RUHGTMQNSA-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 499.696 g/mol
Solvent CDCl3
Source File Reference UWBT14365