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PSEUDOTHEONAMIDE-A1
SpectraBase Compound ID 4J8FyzOesHs
InChI InChI=1S/C36H45N9O8/c37-35-43-34(52)36(53)29(9-5-15-45(35)36)42-32(50)28-8-4-14-44(28)33(51)27(39-20-46)19-38-30(48)18-25-24(16-22-10-12-23(47)13-11-22)41-31(49)26(40-25)17-21-6-2-1-3-7-21/h1-3,6-7,10-13,20,24-29,40,47,53H,4-5,8-9,14-19H2,(H,38,48)(H,39,46)(H,41,49)(H,42,50)(H2,37,43,52)/t24-,25-,26+,27+,28-,29-,36+/m0/s1
InChIKey OFIXQAFBMUEGPX-FFIPTCINSA-N
Mol Weight 731.8 g/mol
Molecular Formula C36H45N9O8
Exact Mass 731.339109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7c8Bl5KxSw
Name PSEUDOTHEONAMIDE-A1
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H45N9O8
InChI InChI=1S/C36H45N9O8/c37-35-43-34(52)36(53)29(9-5-15-45(35)36)42-32(50)28-8-4-14-44(28)33(51)27(39-20-46)19-38-30(48)18-25-24(16-22-10-12-23(47)13-11-22)41-31(49)26(40-25)17-21-6-2-1-3-7-21/h1-3,6-7,10-13,20,24-29,40,47,53H,4-5,8-9,14-19H2,(H,38,48)(H,39,46)(H,41,49)(H,42,50)(H2,37,43,52)/t24-,25-,26+,27+,28-,29-,36+/m0/s1
InChIKey OFIXQAFBMUEGPX-FFIPTCINSA-N
Literature Reference Author Y.NAKAO,A.MASUDA,S.MATSUNAGA,N.FUSETANI
Literature Reference Citation J.AM.CHEM.SOC.,121,2425(1999)
Literature Reference DOI 10.1021/ja9831195
Molecular Weight 731.809 g/mol
Solvent CD3OH
Source File Reference UWSI907