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MACRALSTONIDIN
SpectraBase Compound ID 9GxkwcSQBXd
InChI InChI=1S/C41H48N4O3/c1-6-21-18-45-34-17-27-38-26-13-30-24-15-35-39-25(22-9-7-8-10-31(22)43(39)4)16-33(42(35)3)29(24)20-47-41(30,2)48-37(26)12-11-32(38)44(5)40(27)36(45)14-23(21)28(34)19-46/h6-12,23-24,28-30,33-36,46H,13-20H2,1-5H3/b21-6+/t23-,24+,28-,29+,30-,33-,34-,35-,36-,41-/m0/s1
InChIKey ZUIDZDKAJCEORF-REQSFSERSA-N
Mol Weight 644.9 g/mol
Molecular Formula C41H48N4O3
Exact Mass 644.372641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ENndB2qFPsD
Name MACRALSTONIDIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H48N4O3
InChI InChI=1S/C41H48N4O3/c1-6-21-18-45-34-17-27-38-26-13-30-24-15-35-39-25(22-9-7-8-10-31(22)43(39)4)16-33(42(35)3)29(24)20-47-41(30,2)48-37(26)12-11-32(38)44(5)40(27)36(45)14-23(21)28(34)19-46/h6-12,23-24,28-30,33-36,46H,13-20H2,1-5H3/b21-6+/t23-,24+,28-,29+,30-,33-,34-,35-,36-,41-/m0/s1
InChIKey ZUIDZDKAJCEORF-REQSFSERSA-N
Literature Reference Author B.C.DAS,J.P.COSSON,G.LUKACS,P.POTIER
Literature Reference Citation TETRAH.LETT.,15,4299(1974)
Literature Reference DOI 10.1016/S0040-4039(01)92147-1
Molecular Weight 644.857 g/mol
Solvent CDCl3
Source File Reference UNIW12763