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12-O-(3-(1-(4-BROMOBENZYL)-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY)-11,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
SpectraBase Compound ID IXqWZj8SXYh
InChI InChI=1S/C32H36BrN3O4/c1-19(2)24-16-21-8-12-25-31(3,4)14-5-15-32(25)27(21)29(40-30(32)38)28(24)39-26(37)13-11-23-18-36(35-34-23)17-20-6-9-22(33)10-7-20/h6-7,9-10,16,18-19,25H,5,8,11-15,17H2,1-4H3/t25-,32+/m0/s1
InChIKey MVPMSGIBINAYCC-ZOYWYXQUSA-N
Mol Weight 606.6 g/mol
Molecular Formula C32H36BrN3O4
Exact Mass 605.18892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BElC737BSod
Name 12-O-(3-(1-(4-BROMOBENZYL)-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY)-11,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H36BrN3O4
InChI InChI=1S/C32H36BrN3O4/c1-19(2)24-16-21-8-12-25-31(3,4)14-5-15-32(25)27(21)29(40-30(32)38)28(24)39-26(37)13-11-23-18-36(35-34-23)17-20-6-9-22(33)10-7-20/h6-7,9-10,16,18-19,25H,5,8,11-15,17H2,1-4H3/t25-,32+/m0/s1
InChIKey MVPMSGIBINAYCC-ZOYWYXQUSA-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 606.560 g/mol
Solvent CDCl3
Source File Reference UWPA3144