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DOVYALICIN_E;(S)-1-(4-BENZOYLAMINOBUTYL)-HEXAHYDRO-4-PHENYL-1,5-DIAZOCIN-2-(1-H)-ONE
SpectraBase Compound ID 3Aj1bTQ7GNc
InChI InChI=1S/C23H29N3O2/c27-22-18-21(19-10-3-1-4-11-19)24-15-9-17-26(22)16-8-7-14-25-23(28)20-12-5-2-6-13-20/h1-6,10-13,21,24H,7-9,14-18H2,(H,25,28)/t21-/m0/s1
InChIKey XMSVRBIVBUEBCF-NRFANRHFSA-N
Mol Weight 379.5 g/mol
Molecular Formula C23H29N3O2
Exact Mass 379.225977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6odkGkkUb5U
Name DOVYALICIN_E;(S)-1-(4-BENZOYLAMINOBUTYL)-HEXAHYDRO-4-PHENYL-1,5-DIAZOCIN-2-(1-H)-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H29N3O2
InChI InChI=1S/C23H29N3O2/c27-22-18-21(19-10-3-1-4-11-19)24-15-9-17-26(22)16-8-7-14-25-23(28)20-12-5-2-6-13-20/h1-6,10-13,21,24H,7-9,14-18H2,(H,25,28)/t21-/m0/s1
InChIKey XMSVRBIVBUEBCF-NRFANRHFSA-N
Literature Reference Author B.RASMUSSEN,A.J.NKURUNZIZA,M.WITT,H.A.OKETCH-RABAH,J.W.JAROS ZEWSKI,D.STAERK
Literature Reference Citation J.NAT.PROD.,69,1300(2006)
Literature Reference DOI 10.1021/np060204e
Molecular Weight 379.502 g/mol
Solvent CDCl3
Source File Reference UWMZ15475