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METHYL-(11,12-O-(3-(1-(4-NITROBENZYL)-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY)-ABIETA-8,11,13-TRIENE)-20-OATE
SpectraBase Compound ID 5uEKVj72XuO
InChI InChI=1S/C45H50N8O10/c1-28(2)36-23-31-11-18-37-44(3,4)21-6-22-45(37,43(56)61-5)40(31)42(63-39(55)20-13-33-27-51(49-47-33)25-30-9-16-35(17-10-30)53(59)60)41(36)62-38(54)19-12-32-26-50(48-46-32)24-29-7-14-34(15-8-29)52(57)58/h7-10,14-17,23,26-28,37H,6,11-13,18-22,24-25H2,1-5H3/t37-,45+/m0/s1
InChIKey MNQUGFYQDFIMCZ-YJBJDYJBSA-N
Mol Weight 862.9 g/mol
Molecular Formula C45H50N8O10
Exact Mass 862.36499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 66Oc2tl0Bp2
Name METHYL-(11,12-O-(3-(1-(4-NITROBENZYL)-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY)-ABIETA-8,11,13-TRIENE)-20-OATE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H50N8O10
InChI InChI=1S/C45H50N8O10/c1-28(2)36-23-31-11-18-37-44(3,4)21-6-22-45(37,43(56)61-5)40(31)42(63-39(55)20-13-33-27-51(49-47-33)25-30-9-16-35(17-10-30)53(59)60)41(36)62-38(54)19-12-32-26-50(48-46-32)24-29-7-14-34(15-8-29)52(57)58/h7-10,14-17,23,26-28,37H,6,11-13,18-22,24-25H2,1-5H3/t37-,45+/m0/s1
InChIKey MNQUGFYQDFIMCZ-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 862.940 g/mol
Solvent CDCl3
Source File Reference UWPA3154