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12-O-(3-(1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY)-11,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
SpectraBase Compound ID 1iSEZt39M7D
InChI InChI=1S/C32H37N3O4/c1-20(2)24-17-22-11-13-25-31(3,4)15-8-16-32(25)27(22)29(39-30(32)37)28(24)38-26(36)14-12-23-19-35(34-33-23)18-21-9-6-5-7-10-21/h5-7,9-10,17,19-20,25H,8,11-16,18H2,1-4H3/t25-,32+/m0/s1
InChIKey ZFNHEGSZEIRDEH-ZOYWYXQUSA-N
Mol Weight 527.7 g/mol
Molecular Formula C32H37N3O4
Exact Mass 527.278407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JoLqcUFWCcv
Name 12-O-(3-(1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY)-11,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H37N3O4
InChI InChI=1S/C32H37N3O4/c1-20(2)24-17-22-11-13-25-31(3,4)15-8-16-32(25)27(22)29(39-30(32)37)28(24)38-26(36)14-12-23-19-35(34-33-23)18-21-9-6-5-7-10-21/h5-7,9-10,17,19-20,25H,8,11-16,18H2,1-4H3/t25-,32+/m0/s1
InChIKey ZFNHEGSZEIRDEH-ZOYWYXQUSA-N
Literature Reference Author M.W.PERTINO,C.THEODULOZ,E.BUTASSI,S.ZACCHINO,G.SCHMEDA-HIRSC HMANN
Literature Reference Citation MOLECULES,20,8666(2015)
Literature Reference DOI 10.3390/molecules20058666
Molecular Weight 527.663 g/mol
Solvent CDCl3
Source File Reference UWPA3142