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(7-BETA)-11,12-O-(4-(1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)-BUTANOYLOXY)-7,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
SpectraBase Compound ID CYLqfiFI4J0
InChI InChI=1S/C46H52N6O6/c1-30(2)35-24-36-37-25-38-45(3,4)22-13-23-46(38,44(55)56-37)41(36)43(58-40(54)21-12-19-34-29-52(50-48-34)27-32-16-9-6-10-17-32)42(35)57-39(53)20-11-18-33-28-51(49-47-33)26-31-14-7-5-8-15-31/h5-10,14-17,24,28-30,37-38H,11-13,18-23,25-27H2,1-4H3/t37-,38-,46+/m0/s1
InChIKey FDUFYNSGJMCWBA-YQECBSLYSA-N
Mol Weight 785.0 g/mol
Molecular Formula C46H52N6O6
Exact Mass 784.394833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9VHh1oBXDW
Name (7-BETA)-11,12-O-(4-(1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)-BUTANOYLOXY)-7,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H52N6O6
InChI InChI=1S/C46H52N6O6/c1-30(2)35-24-36-37-25-38-45(3,4)22-13-23-46(38,44(55)56-37)41(36)43(58-40(54)21-12-19-34-29-52(50-48-34)27-32-16-9-6-10-17-32)42(35)57-39(53)20-11-18-33-28-51(49-47-33)26-31-14-7-5-8-15-31/h5-10,14-17,24,28-30,37-38H,11-13,18-23,25-27H2,1-4H3/t37-,38-,46+/m0/s1
InChIKey FDUFYNSGJMCWBA-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 784.955 g/mol
Solvent CDCl3
Source File Reference UWPA3159