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CYClOTHEONAMIDE-E3;MAJOR_CONFORMER;B-HEMIACETALE
SpectraBase Compound ID 4Kzie53yPeV
InChI InChI=1S/C41H64N10O10/c1-7-24(4)34-37(57)47-27(21-26-12-15-28(52)16-13-26)14-17-32(53)45-22-29(48-35(55)25(5)46-33(54)20-23(2)3)38(58)51-19-9-10-30(51)36(56)49-31(11-8-18-44-40(42)43)41(60,61-6)39(59)50-34/h12-17,23-25,27,29-31,34,52,60H,7-11,18-22H2,1-6H3,(H,45,53)(H,46,54)(H,47,57)(H,48,55)(H,49,56)(H,50,59)(H4,42,43,44)/b17-14-/t24-,25-,27+,29+,30-,31-,34+,41?/m0/s1
InChIKey ZAFOGEYZYRTXFF-CJKJSOCGSA-N
Mol Weight 857.0 g/mol
Molecular Formula C41H64N10O10
Exact Mass 856.480688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EhJ75Cv4BVW
Name CYClOTHEONAMIDE-E3;MAJOR_CONFORMER;B-HEMIACETALE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H64N10O10
InChI InChI=1S/C41H64N10O10/c1-7-24(4)34-37(57)47-27(21-26-12-15-28(52)16-13-26)14-17-32(53)45-22-29(48-35(55)25(5)46-33(54)20-23(2)3)38(58)51-19-9-10-30(51)36(56)49-31(11-8-18-44-40(42)43)41(60,61-6)39(59)50-34/h12-17,23-25,27,29-31,34,52,60H,7-11,18-22H2,1-6H3,(H,45,53)(H,46,54)(H,47,57)(H,48,55)(H,49,56)(H,50,59)(H4,42,43,44)/b17-14-/t24-,25-,27+,29+,30-,31-,34+,41?/m0/s1
InChIKey ZAFOGEYZYRTXFF-CJKJSOCGSA-N
Literature Reference Author Y.NAKAO,N.OKU,S.MATSUNAGA,N.FUSETANI
Literature Reference Citation J.NAT.PROD.,61,667(1998)
Literature Reference DOI 10.1021/np970544n
Molecular Weight 857.020 g/mol
Solvent CD3OH
Source File Reference UWMK55