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Roemeridine
SpectraBase Compound ID EZ6eTM97x5L
InChI InChI=1S/C31H39N3O5/c1-34-11-7-17-12-24(38-4)28(35)27-26(17)21(34)15-30(27)8-9-31(25(16-30)39-5)29-18(6-10-32-31)19-13-22(36-2)23(37-3)14-20(19)33-29/h12-14,21,25,32-33,35H,6-11,15-16H2,1-5H3/t21?,25-,30+,31+/m1/s1
InChIKey ZEQJFLRBPFWVDX-LGFSPVNFSA-N
Mol Weight 533.7 g/mol
Molecular Formula C31H39N3O5
Exact Mass 533.288971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KaZ8K968vM3
Name ROEMERIDINE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H39N3O5
InChI InChI=1S/C31H39N3O5/c1-34-11-7-17-12-24(38-4)28(35)27-26(17)21(34)15-30(27)8-9-31(25(16-30)39-5)29-18(6-10-32-31)19-13-22(36-2)23(37-3)14-20(19)33-29/h12-14,21,25,32-33,35H,6-11,15-16H2,1-5H3/t21?,25-,30+,31+/m1/s1
InChIKey ZEQJFLRBPFWVDX-LGFSPVNFSA-N
Literature Reference Author R.MAREK,J.DOSTAL,J.SLAVIK,C.SKLENAR
Literature Reference Citation MOLECULES,1,166(1996)
Literature Reference DOI 10.1007/s007830050033
Molecular Weight 533.668 g/mol
Solvent DMSO-D6
Source File Reference UWVN7031