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N-ACETYL-SECO-N-METHYLLAUROTETANINE;(MAJOR-ISOMER)
SpectraBase Compound ID IpoZ7mcYo88
InChI InChI=1S/C22H25NO5/c1-13(24)23(2)9-8-15-11-20(27-4)22(28-5)21-16(15)7-6-14-10-18(25)19(26-3)12-17(14)21/h6-7,10-12,25H,8-9H2,1-5H3
InChIKey UXHXFNAMTQWXOM-UHFFFAOYSA-N
Mol Weight 383.44 g/mol
Molecular Formula C22H25NO5
Exact Mass 383.173273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2OseOvLe9n
Name N-ACETYL-SECO-N-METHYLLAUROTETANINE;(MAJOR-ISOMER)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25NO5
InChI InChI=1S/C22H25NO5/c1-13(24)23(2)9-8-15-11-20(27-4)22(28-5)21-16(15)7-6-14-10-18(25)19(26-3)12-17(14)21/h6-7,10-12,25H,8-9H2,1-5H3
InChIKey UXHXFNAMTQWXOM-UHFFFAOYSA-N
Literature Reference Author H.GUINAUDEAU,M.LEBCEUF,A.CAVE
Literature Reference Citation J.NAT.PROD.,57,1033(1994)
Literature Reference DOI 10.1021/np50110a001
Molecular Weight 383.444 g/mol
Solvent PYRIDINE-D5
Source File Reference UWTS1559