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SCUTIANINE_D
SpectraBase Compound ID G3a8pwVUUBQ
InChI InChI=1S/C34H40N4O5/c1-22(2)31-29(37-32(40)27(38(3)4)21-24-11-7-5-8-12-24)34(42)36-28(30(39)25-13-9-6-10-14-25)33(41)35-20-19-23-15-17-26(43-31)18-16-23/h5-20,22,27-31,39H,21H2,1-4H3,(H,35,41)(H,36,42)(H,37,40)/b20-19-/t27-,28-,29-,30-,31-/m0/s1
InChIKey YCOHIMQJGPGODE-GTIWKBQKSA-N
Mol Weight 584.7 g/mol
Molecular Formula C34H40N4O5
Exact Mass 584.29987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HIk1BGh0KvA
Name SCUTIANINE_D
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H40N4O5
InChI InChI=1S/C34H40N4O5/c1-22(2)31-29(37-32(40)27(38(3)4)21-24-11-7-5-8-12-24)34(42)36-28(30(39)25-13-9-6-10-14-25)33(41)35-20-19-23-15-17-26(43-31)18-16-23/h5-20,22,27-31,39H,21H2,1-4H3,(H,35,41)(H,36,42)(H,37,40)/b20-19-/t27-,28-,29-,30-,31-/m0/s1
InChIKey YCOHIMQJGPGODE-GTIWKBQKSA-N
Literature Reference Author G.TREVISAN,G.MALDANER,N.A.VELLOSO,G.D.S.SANTANNA,V.ILHA,C.D. C.V.GEWEHR,M.A.RUBIN
Literature Reference Citation J.NAT.PROD.,72,608(2009)
Literature Reference DOI 10.1021/np800377y
Molecular Weight 584.715 g/mol
Sample ID 32348
Solvent CDCl3