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NMXZVKGQEJDNQK-IYMPVJEUSA-N

View entire compound with spectra: 1 NMR

NMXZVKGQEJDNQK-IYMPVJEUSA-N
SpectraBase Compound ID 9P7sEQeB3R4
InChI InChI=1S/C56H68O16/c1-61-45-29-46(62-2)38-25-37(45)33-17-21-69-53(57)13-9-10-14-54(58)70-22-18-34(38)43-28-44(52(68-8)32-51(43)67-7)36-20-24-72-56(60)16-12-11-15-55(59)71-23-19-35(39-26-40(36)48(64-4)30-47(39)63-3)42-27-41(33)49(65-5)31-50(42)66-6/h25-36H,9-24H2,1-8H3/t33-,34+,35+,36-
InChIKey NMXZVKGQEJDNQK-IYMPVJEUSA-N
Mol Weight 997.1 g/mol
Molecular Formula C56H68O16
Exact Mass 996.450736 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2qOb0XHBBzF
Name NMXZVKGQEJDNQK-IYMPVJEUSA-N
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H68O16
InChI InChI=1S/C56H68O16/c1-61-45-29-46(62-2)38-25-37(45)33-17-21-69-53(57)13-9-10-14-54(58)70-22-18-34(38)43-28-44(52(68-8)32-51(43)67-7)36-20-24-72-56(60)16-12-11-15-55(59)71-23-19-35(39-26-40(36)48(64-4)30-47(39)63-3)42-27-41(33)49(65-5)31-50(42)66-6/h25-36H,9-24H2,1-8H3/t33-,34+,35+,36-
InChIKey NMXZVKGQEJDNQK-IYMPVJEUSA-N
Literature Reference Author B.BOTTA,G.DELLEMONACHE,M.C.DEROSA,C.SERI,E.BENEDETTI,R.IACOV INO,M.BOTTA,F.CORELL
Literature Reference Citation J.ORG.CHEM.,62,1788(1997)
Literature Reference DOI 10.1021/jo9619692
Molecular Weight 997.146 g/mol
Solvent Unknown
Source File Reference UWCS23100