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PENARESIDINE-A-TETRAACETATE;MAJOR-ISOMER
SpectraBase Compound ID Em12U2P8RAh
InChI InChI=1S/C27H47NO7/c1-7-19(2)26(34-22(5)31)17-15-13-11-9-8-10-12-14-16-24-27(35-23(6)32)25(18-33-21(4)30)28(24)20(3)29/h19,24-27H,7-18H2,1-6H3/t19?,24-,25-,26?,27+/m0/s1
InChIKey HVMDAPQXNNRNBQ-DKLUVQSVSA-N
Mol Weight 497.7 g/mol
Molecular Formula C27H47NO7
Exact Mass 497.335253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7mrPTDJ3rFc
Name PENARESIDINE-A-TETRAACETATE;MAJOR-ISOMER
Compound Number 36 A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H47NO7
InChI InChI=1S/C27H47NO7/c1-7-19(2)26(34-22(5)31)17-15-13-11-9-8-10-12-14-16-24-27(35-23(6)32)25(18-33-21(4)30)28(24)20(3)29/h19,24-27H,7-18H2,1-6H3/t19?,24-,25-,26?,27+/m0/s1
InChIKey HVMDAPQXNNRNBQ-DKLUVQSVSA-N
Literature Reference Author J.KOBAYASHI,M.ISHIBASHI
Literature Reference Citation HETEROCYCLES,42,943(1996)
Literature Reference DOI 10.3987/REV-95-SR6
Molecular Weight 497.673 g/mol
Solvent Unknown
Source File Reference UWCP5890