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

*Links on SpectraBase are not permalinks.
METHYL-(11,12-O-(4-(1-(4-NITROBENZYL)-1H-1,2,3-TRIAZOL-4-YL)-BUTANOYLOXY)-ABIETA-8,11,13-TRIENE)-20-OATE
SpectraBase Compound ID JuNRzBoh9yv
InChI InChI=1S/C47H54N8O10/c1-30(2)38-25-33-17-22-39-46(3,4)23-8-24-47(39,45(58)63-5)42(33)44(65-41(57)12-7-10-35-29-53(51-49-35)27-32-15-20-37(21-16-32)55(61)62)43(38)64-40(56)11-6-9-34-28-52(50-48-34)26-31-13-18-36(19-14-31)54(59)60/h13-16,18-21,25,28-30,39H,6-12,17,22-24,26-27H2,1-5H3/t39-,47+/m0/s1
InChIKey QXDHHNNXGLKUAN-NYYHBLAPSA-N
Mol Weight 891.0 g/mol
Molecular Formula C47H54N8O10
Exact Mass 890.39629 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 2zzT0s3UdrC
Name METHYL-(11,12-O-(4-(1-(4-NITROBENZYL)-1H-1,2,3-TRIAZOL-4-YL)-BUTANOYLOXY)-ABIETA-8,11,13-TRIENE)-20-OATE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H54N8O10
InChI InChI=1S/C47H54N8O10/c1-30(2)38-25-33-17-22-39-46(3,4)23-8-24-47(39,45(58)63-5)42(33)44(65-41(57)12-7-10-35-29-53(51-49-35)27-32-15-20-37(21-16-32)55(61)62)43(38)64-40(56)11-6-9-34-28-52(50-48-34)26-31-13-18-36(19-14-31)54(59)60/h13-16,18-21,25,28-30,39H,6-12,17,22-24,26-27H2,1-5H3/t39-,47+/m0/s1
InChIKey QXDHHNNXGLKUAN-NYYHBLAPSA-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 890.993 g/mol
Solvent CDCl3
Source File Reference UWPA3155