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(7-BETA)-11,12-O-(4-(1-(4-NITROBENZYL)-1H-1,2,3-TRIAZOL-4-YL)-BUTANOYLOXY)-7,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
SpectraBase Compound ID HlVlKKjciCz
InChI InChI=1S/C46H50N8O10/c1-28(2)35-22-36-37-23-38-45(3,4)20-7-21-46(38,44(57)62-37)41(36)43(64-40(56)11-6-9-32-27-52(50-48-32)25-30-14-18-34(19-15-30)54(60)61)42(35)63-39(55)10-5-8-31-26-51(49-47-31)24-29-12-16-33(17-13-29)53(58)59/h12-19,22,26-28,37-38H,5-11,20-21,23-25H2,1-4H3/t37-,38-,46+/m0/s1
InChIKey XSFRVCWOYKRNEH-YQECBSLYSA-N
Mol Weight 875.0 g/mol
Molecular Formula C46H50N8O10
Exact Mass 874.36499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7uqEx47LnLs
Name (7-BETA)-11,12-O-(4-(1-(4-NITROBENZYL)-1H-1,2,3-TRIAZOL-4-YL)-BUTANOYLOXY)-7,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H50N8O10
InChI InChI=1S/C46H50N8O10/c1-28(2)35-22-36-37-23-38-45(3,4)20-7-21-46(38,44(57)62-37)41(36)43(64-40(56)11-6-9-32-27-52(50-48-32)25-30-14-18-34(19-15-30)54(60)61)42(35)63-39(55)10-5-8-31-26-51(49-47-31)24-29-12-16-33(17-13-29)53(58)59/h12-19,22,26-28,37-38H,5-11,20-21,23-25H2,1-4H3/t37-,38-,46+/m0/s1
InChIKey XSFRVCWOYKRNEH-YQECBSLYSA-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 874.951 g/mol
Solvent CDCl3
Source File Reference UWPA3163