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N-SELAGINELLOYL-L-PHENYLALANINE
SpectraBase Compound ID Lrdmma3S7Zc
InChI InChI=1S/C27H33N3O4/c1-18(24(32)28-22(25(33)34)16-19-8-6-5-7-9-19)12-13-27-14-15-29(2)26(27)30(3,4)23-11-10-20(31)17-21(23)27/h5-12,17,22,26H,13-16H2,1-4H3,(H2-,28,31,32,33,34)/b18-12+/t22-,26+,27-/m0/s1
InChIKey YTWGHAVFFCUVLQ-PJJXWCSSSA-N
Mol Weight 463.6 g/mol
Molecular Formula C27H33N3O4
Exact Mass 463.247107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GmCqGGgdaBG
Name N-(SELAGINELLOYL)-L-PHENYLALANINE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H33N3O4
InChI InChI=1S/C27H33N3O4/c1-18(24(32)28-22(25(33)34)16-19-8-6-5-7-9-19)12-13-27-14-15-29(2)26(27)30(3,4)23-11-10-20(31)17-21(23)27/h5-12,17,22,26H,13-16H2,1-4H3,(H2-,28,31,32,33,34)/b18-12+/t22-,26+,27-/m0/s1
InChIKey YTWGHAVFFCUVLQ-PJJXWCSSSA-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 463.577 g/mol
Sample ID 33069
Solvent CD3OD