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PSEUDOTHEONAMIDE-C
SpectraBase Compound ID 85P1jS0OuGn
InChI InChI=1S/C36H45N9O8/c37-26(19-22-6-2-1-3-7-22)31(49)41-24(18-23-10-13-25(47)14-11-23)12-15-30(48)39-20-27(40-21-46)33(51)44-16-4-8-28(44)32(50)42-29-9-5-17-45-35(38)43-34(52)36(29,45)53/h1-3,6-7,10-15,21,24,26-29,47,53H,4-5,8-9,16-20,37H2,(H,39,48)(H,40,46)(H,41,49)(H,42,50)(H2,38,43,52)/b15-12+/t24-,26-,27+,28-,29-,36+/m0/s1
InChIKey BJQBVGSNOQNIAB-FYIDRWAOSA-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 7a5lrCUv9jV
Name PSEUDOTHEONAMIDE-C
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H45N9O8
InChI InChI=1S/C36H45N9O8/c37-26(19-22-6-2-1-3-7-22)31(49)41-24(18-23-10-13-25(47)14-11-23)12-15-30(48)39-20-27(40-21-46)33(51)44-16-4-8-28(44)32(50)42-29-9-5-17-45-35(38)43-34(52)36(29,45)53/h1-3,6-7,10-15,21,24,26-29,47,53H,4-5,8-9,16-20,37H2,(H,39,48)(H,40,46)(H,41,49)(H,42,50)(H2,38,43,52)/b15-12+/t24-,26-,27+,28-,29-,36+/m0/s1
InChIKey BJQBVGSNOQNIAB-FYIDRWAOSA-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 UWSI910