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YHWZQEWZCJEIIJ-CWVWEBRASA-N
SpectraBase Compound ID 5mSLt4DqCgW
InChI InChI=1S/C55H52N4O14/c1-35-31-58(54(65)59(50(35)61)51(62)36-13-7-4-8-14-36)49-30-44(73-52(63)37-15-9-5-10-16-37)45(71-49)32-68-34-69-43-29-48(57-28-27-47(60)56-53(57)64)72-46(43)33-70-55(38-17-11-6-12-18-38,39-19-23-41(66-2)24-20-39)40-21-25-42(67-3)26-22-40/h4-28,31,43-46,48-49H,29-30,32-34H2,1-3H3,(H,56,60,64)/t43-,44+,45-,46+,48+,49-/m0/s1
InChIKey YHWZQEWZCJEIIJ-CWVWEBRASA-N
Mol Weight 993.0 g/mol
Molecular Formula C55H52N4O14
Exact Mass 992.348002 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYaF3YsScl4
Name YHWZQEWZCJEIIJ-CWVWEBRASA-N
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H52N4O14
InChI InChI=1S/C55H52N4O14/c1-35-31-58(54(65)59(50(35)61)51(62)36-13-7-4-8-14-36)49-30-44(73-52(63)37-15-9-5-10-16-37)45(71-49)32-68-34-69-43-29-48(57-28-27-47(60)56-53(57)64)72-46(43)33-70-55(38-17-11-6-12-18-38,39-19-23-41(66-2)24-20-39)40-21-25-42(67-3)26-22-40/h4-28,31,43-46,48-49H,29-30,32-34H2,1-3H3,(H,56,60,64)/t43-,44+,45-,46+,48+,49-/m0/s1
InChIKey YHWZQEWZCJEIIJ-CWVWEBRASA-N
Literature Reference Author P.J.M.L.QUAEDFLIEG,G.A.VANDERMAREL,E.KUYL-YEHESKIELY,J.H.VAN BOOM
Literature Reference Citation REC.TR.CH.P.-B.,110,435(1991)
Literature Reference DOI 10.1002/recl.19911101008
Molecular Weight 993.036 g/mol
Solvent Unknown
Source File Reference UWTS2374