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18-[3-[[(1-PHENYLTHIO)-METHYL]-1H-1,2,3-TRIAZOL-4-YL]-PROPANOYLOXY]-8,11,13-ABIETATRIENE

View entire compound with spectra: 1 NMR

18-[3-[[(1-PHENYLTHIO)-METHYL]-1H-1,2,3-TRIAZOL-4-YL]-PROPANOYLOXY]-8,11,13-ABIETATRIENE
SpectraBase Compound ID 8CDGfsrzyg5
InChI InChI=1S/C32H41N3O2S/c1-23(2)24-11-14-28-25(19-24)12-15-29-31(3,17-8-18-32(28,29)4)21-37-30(36)16-13-26-20-35(34-33-26)22-38-27-9-6-5-7-10-27/h5-7,9-11,14,19-20,23,29H,8,12-13,15-18,21-22H2,1-4H3/t29-,31-,32+/m0/s1
InChIKey BTMZSVJMKUYLCY-RUHGTMQNSA-N
Mol Weight 531.8 g/mol
Molecular Formula C32H41N3O2S
Exact Mass 531.291949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8qMdFucryVn
Name 18-[3-[[(1-PHENYLTHIO)-METHYL]-1H-1,2,3-TRIAZOL-4-YL]-PROPANOYLOXY]-8,11,13-ABIETATRIENE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H41N3O2S
InChI InChI=1S/C32H41N3O2S/c1-23(2)24-11-14-28-25(19-24)12-15-29-31(3,17-8-18-32(28,29)4)21-37-30(36)16-13-26-20-35(34-33-26)22-38-27-9-6-5-7-10-27/h5-7,9-11,14,19-20,23,29H,8,12-13,15-18,21-22H2,1-4H3/t29-,31-,32+/m0/s1
InChIKey BTMZSVJMKUYLCY-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 531.756 g/mol
Solvent CDCl3
Source File Reference UWBT14367