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ZRXWFXBQMNBHLR-PGGHDBDGSA-N
SpectraBase Compound ID 9yYbz6FBNSW
InChI InChI=1S/C31H48N4O7/c1-9-20(6)27(30(40)34-26(19(4)5)31(41)42-8)35-28(38)21(7)32-29(39)25(18(2)3)33-24(37)17-23(36)16-15-22-13-11-10-12-14-22/h10-16,18-21,23,25-27,36H,9,17H2,1-8H3,(H,32,39)(H,33,37)(H,34,40)(H,35,38)/b16-15+/t20-,21+,23+,25-,26-,27-/m0/s1
InChIKey ZRXWFXBQMNBHLR-PGGHDBDGSA-N
Mol Weight 588.7 g/mol
Molecular Formula C31H48N4O7
Exact Mass 588.3523 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMVIdejJjJx
Name ZRXWFXBQMNBHLR-PGGHDBDGSA-N
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H48N4O7
InChI InChI=1S/C31H48N4O7/c1-9-20(6)27(30(40)34-26(19(4)5)31(41)42-8)35-28(38)21(7)32-29(39)25(18(2)3)33-24(37)17-23(36)16-15-22-13-11-10-12-14-22/h10-16,18-21,23,25-27,36H,9,17H2,1-8H3,(H,32,39)(H,33,37)(H,34,40)(H,35,38)/b16-15+/t20-,21+,23+,25-,26-,27-/m0/s1
InChIKey ZRXWFXBQMNBHLR-PGGHDBDGSA-N
Literature Reference Author D.LI,G.CARR,Y.ZHANG,D.E.WILLIAMS,A.AMLANI,H.BOTTRIELL,A.L.F. MUI,R.J.ANDERSEN
Literature Reference Citation J.NAT.PROD.,74,1093(2011)
Literature Reference DOI 10.1021/np200033y
Molecular Weight 588.745 g/mol
Sample ID 38161
Solvent DMSO-D6