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(7-BETA)-11,12-O-(3-(1-(4-BROMOBENZYL)-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY)-7,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
SpectraBase Compound ID 1B9LloZLTTp
InChI InChI=1S/C44H46Br2N6O6/c1-26(2)33-20-34-35-21-36-43(3,4)18-5-19-44(36,42(55)56-35)39(34)41(58-38(54)17-15-32-25-52(50-48-32)23-28-8-12-30(46)13-9-28)40(33)57-37(53)16-14-31-24-51(49-47-31)22-27-6-10-29(45)11-7-27/h6-13,20,24-26,35-36H,5,14-19,21-23H2,1-4H3/t35-,36-,44+/m0/s1
InChIKey QVLZOKAHXFPARR-DEAUEUDZSA-N
Mol Weight 914.7 g/mol
Molecular Formula C44H46Br2N6O6
Exact Mass 912.184559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KF9ArgseXfW
Name (7-BETA)-11,12-O-(3-(1-(4-BROMOBENZYL)-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY)-7,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H46Br2N6O6
InChI InChI=1S/C44H46Br2N6O6/c1-26(2)33-20-34-35-21-36-43(3,4)18-5-19-44(36,42(55)56-35)39(34)41(58-38(54)17-15-32-25-52(50-48-32)23-28-8-12-30(46)13-9-28)40(33)57-37(53)16-14-31-24-51(49-47-31)22-27-6-10-29(45)11-7-27/h6-13,20,24-26,35-36H,5,14-19,21-23H2,1-4H3/t35-,36-,44+/m0/s1
InChIKey QVLZOKAHXFPARR-DEAUEUDZSA-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 914.694 g/mol
Solvent CDCl3
Source File Reference UWPA3160