For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
METHYL-(11,12-O-(3-(1-(4-BROMOBENZYL)-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY)-ABIETA-8,11,13-TRIENE)-20-OATE
SpectraBase Compound ID 5f3brlnrJBN
InChI InChI=1S/C45H50Br2N6O6/c1-28(2)36-23-31-11-18-37-44(3,4)21-6-22-45(37,43(56)57-5)40(31)42(59-39(55)20-17-35-27-53(51-49-35)25-30-9-14-33(47)15-10-30)41(36)58-38(54)19-16-34-26-52(50-48-34)24-29-7-12-32(46)13-8-29/h7-10,12-15,23,26-28,37H,6,11,16-22,24-25H2,1-5H3/t37-,45+/m0/s1
InChIKey AMGNJJUIUPMJJA-YJBJDYJBSA-N
Mol Weight 930.7 g/mol
Molecular Formula C45H50Br2N6O6
Exact Mass 928.215859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ATqVffEF5nn
Name METHYL-(11,12-O-(3-(1-(4-BROMOBENZYL)-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY)-ABIETA-8,11,13-TRIENE)-20-OATE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H50Br2N6O6
InChI InChI=1S/C45H50Br2N6O6/c1-28(2)36-23-31-11-18-37-44(3,4)21-6-22-45(37,43(56)57-5)40(31)42(59-39(55)20-17-35-27-53(51-49-35)25-30-9-14-33(47)15-10-30)41(36)58-38(54)19-16-34-26-52(50-48-34)24-29-7-12-32(46)13-8-29/h7-10,12-15,23,26-28,37H,6,11,16-22,24-25H2,1-5H3/t37-,45+/m0/s1
InChIKey AMGNJJUIUPMJJA-YJBJDYJBSA-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 930.737 g/mol
Solvent CDCl3
Source File Reference UWPA3152