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N-SELAGINELLOYL-L-PHENYLALANINE

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N-SELAGINELLOYL-L-PHENYLALANINE
SpectraBase Compound ID 8YBTHvf8bDf
InChI InChI=1S/C27H33N3O3/c1-19(24(31)28-22(25(32)33)18-20-10-6-5-7-11-20)14-15-27-16-17-29(2)26(27)30(3,4)23-13-9-8-12-21(23)27/h5-14,22,26H,15-18H2,1-4H3,(H-,28,31,32,33)/b19-14+/t22-,26+,27-/m0/s1
InChIKey XWNCKCJXIPNPSH-GOQLITQTSA-N
Mol Weight 447.6 g/mol
Molecular Formula C27H33N3O3
Exact Mass 447.252192 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ywJBdqR1x2
Name N-SELAGINELLOYL-L-PHENYLALANINE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H33N3O3
InChI InChI=1S/C27H33N3O3/c1-19(24(31)28-22(25(32)33)18-20-10-6-5-7-11-20)14-15-27-16-17-29(2)26(27)30(3,4)23-13-9-8-12-21(23)27/h5-14,22,26H,15-18H2,1-4H3,(H-,28,31,32,33)/b19-14+/t22-,26+,27-/m0/s1
InChIKey XWNCKCJXIPNPSH-GOQLITQTSA-N
Literature Reference Author Y.H.WANG,C.L.LONG,F.M.YANG,X.WANG,Q.Y.SUN,H.S.WANG,Y.N.SHI,G .H.TANG
Literature Reference Citation J.NAT.PROD.,72,1151(2009)
Literature Reference DOI 10.1021/np9001515
Molecular Weight 447.577 g/mol
Sample ID 33068
Solvent CD3OD