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(7-BETA)-11,12-O-(3-(1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY)-7,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
SpectraBase Compound ID DQhIkyLa6Fv
InChI InChI=1S/C44H48N6O6/c1-28(2)33-22-34-35-23-36-43(3,4)20-11-21-44(36,42(53)54-35)39(34)41(56-38(52)19-17-32-27-50(48-46-32)25-30-14-9-6-10-15-30)40(33)55-37(51)18-16-31-26-49(47-45-31)24-29-12-7-5-8-13-29/h5-10,12-15,22,26-28,35-36H,11,16-21,23-25H2,1-4H3/t35-,36-,44+/m0/s1
InChIKey PHOUSYQKONLZQH-DEAUEUDZSA-N
Mol Weight 756.9 g/mol
Molecular Formula C44H48N6O6
Exact Mass 756.363533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lmAMd7QI6S
Name (7-BETA)-11,12-O-(3-(1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY)-7,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H48N6O6
InChI InChI=1S/C44H48N6O6/c1-28(2)33-22-34-35-23-36-43(3,4)20-11-21-44(36,42(53)54-35)39(34)41(56-38(52)19-17-32-27-50(48-46-32)25-30-14-9-6-10-15-30)40(33)55-37(51)18-16-31-26-49(47-45-31)24-29-12-7-5-8-13-29/h5-10,12-15,22,26-28,35-36H,11,16-21,23-25H2,1-4H3/t35-,36-,44+/m0/s1
InChIKey PHOUSYQKONLZQH-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 756.902 g/mol
Solvent CDCl3
Source File Reference UWPA3158