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

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18-[[[(1-PHENYLTHIO)-METHYL]-1H-1,2,3-TRIAZOL-4-YL]-METHYL]-8,11,13-ABIETATRIENOATE
SpectraBase Compound ID 4ljXpj4HV5O
InChI InChI=1S/C30H37N3O2S/c1-21(2)22-11-13-26-23(17-22)12-14-27-29(26,3)15-8-16-30(27,4)28(34)35-19-24-18-33(32-31-24)20-36-25-9-6-5-7-10-25/h5-7,9-11,13,17-18,21,27H,8,12,14-16,19-20H2,1-4H3/t27-,29-,30-/m1/s1
InChIKey JXKTYPBDYLQXMW-MJLPRTPSSA-N
Mol Weight 503.7 g/mol
Molecular Formula C30H37N3O2S
Exact Mass 503.260649 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GoAFWcnMtbQ
Name 18-[[[(1-PHENYLTHIO)-METHYL]-1H-1,2,3-TRIAZOL-4-YL]-METHYL]-8,11,13-ABIETATRIENOATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H37N3O2S
InChI InChI=1S/C30H37N3O2S/c1-21(2)22-11-13-26-23(17-22)12-14-27-29(26,3)15-8-16-30(27,4)28(34)35-19-24-18-33(32-31-24)20-36-25-9-6-5-7-10-25/h5-7,9-11,13,17-18,21,27H,8,12,14-16,19-20H2,1-4H3/t27-,29-,30-/m1/s1
InChIKey JXKTYPBDYLQXMW-MJLPRTPSSA-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 503.703 g/mol
Solvent CDCl3
Source File Reference UWBT14361