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12-O-(4-(1-(4-BROMOBENZYL)-1H-1,2,3-TRIAZOL-4-YL)-BUTANOYLOXY)-11,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE

View entire compound with spectra: 1 NMR

12-O-(4-(1-(4-BROMOBENZYL)-1H-1,2,3-TRIAZOL-4-YL)-BUTANOYLOXY)-11,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
SpectraBase Compound ID KVlefxxmpyi
InChI InChI=1S/C33H38BrN3O4/c1-20(2)25-17-22-11-14-26-32(3,4)15-6-16-33(26)28(22)30(41-31(33)39)29(25)40-27(38)8-5-7-24-19-37(36-35-24)18-21-9-12-23(34)13-10-21/h9-10,12-13,17,19-20,26H,5-8,11,14-16,18H2,1-4H3/t26-,33+/m0/s1
InChIKey VCTZXTGMNHIDBP-OOOSNSGVSA-N
Mol Weight 620.6 g/mol
Molecular Formula C33H38BrN3O4
Exact Mass 619.20457 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlUPuV0RbBb
Name 12-O-(4-(1-(4-BROMOBENZYL)-1H-1,2,3-TRIAZOL-4-YL)-BUTANOYLOXY)-11,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H38BrN3O4
InChI InChI=1S/C33H38BrN3O4/c1-20(2)25-17-22-11-14-26-32(3,4)15-6-16-33(26)28(22)30(41-31(33)39)29(25)40-27(38)8-5-7-24-19-37(36-35-24)18-21-9-12-23(34)13-10-21/h9-10,12-13,17,19-20,26H,5-8,11,14-16,18H2,1-4H3/t26-,33+/m0/s1
InChIKey VCTZXTGMNHIDBP-OOOSNSGVSA-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 620.586 g/mol
Solvent CDCl3
Source File Reference UWPA3145