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METHYL-(11,12-O-(3-(1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY)-ABIETA-8,11,13-TRIENE)-20-OATE

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METHYL-(11,12-O-(3-(1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY)-ABIETA-8,11,13-TRIENE)-20-OATE
SpectraBase Compound ID ITzJMnoDRJS
InChI InChI=1S/C45H52N6O6/c1-30(2)36-25-33-17-20-37-44(3,4)23-12-24-45(37,43(54)55-5)40(33)42(57-39(53)22-19-35-29-51(49-47-35)27-32-15-10-7-11-16-32)41(36)56-38(52)21-18-34-28-50(48-46-34)26-31-13-8-6-9-14-31/h6-11,13-16,25,28-30,37H,12,17-24,26-27H2,1-5H3/t37-,45+/m0/s1
InChIKey WELLQYKPNQOUNJ-YJBJDYJBSA-N
Mol Weight 772.9 g/mol
Molecular Formula C45H52N6O6
Exact Mass 772.394833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bd96qcGm9KO
Name METHYL-(11,12-O-(3-(1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY)-ABIETA-8,11,13-TRIENE)-20-OATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H52N6O6
InChI InChI=1S/C45H52N6O6/c1-30(2)36-25-33-17-20-37-44(3,4)23-12-24-45(37,43(54)55-5)40(33)42(57-39(53)22-19-35-29-51(49-47-35)27-32-15-10-7-11-16-32)41(36)56-38(52)21-18-34-28-50(48-46-34)26-31-13-8-6-9-14-31/h6-11,13-16,25,28-30,37H,12,17-24,26-27H2,1-5H3/t37-,45+/m0/s1
InChIKey WELLQYKPNQOUNJ-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 772.944 g/mol
Solvent CDCl3
Source File Reference UWPA3150