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Tetranactin-ammonium complex cation

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Tetranactin-ammonium complex cation
SpectraBase Compound ID 3jVTDWTWP15
InChI InChI=1S/C44H74NO12/c1-9-29-21-33-13-17-37(50-33)25(5)41(46)54-32(12-4)24-36-16-20-40-28(8)44(49)53-30(10-2)22-34-14-18-38(51-34)26(6)42(47)55-31(11-3)23-35-15-19-39(27(7)43(48)52-29)56(35)45-57(36)40/h25-40H,9-24,45H2,1-8H3/q+1
InChIKey TWIIPZFHEHFZHY-UHFFFAOYSA-N
Mol Weight 811.1 g/mol
Molecular Formula C44H76NO12
Exact Mass 810.536752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 46NFNPWKLcR
Name Tetranactin-ammonium complex cation
Comments SOLID STATE, REFERENCED TO GLYCINE(176.03) PPM
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Formula C44H76NO12
InChI InChI=1S/C44H74NO12/c1-9-29-21-33-13-17-37(50-33)25(5)41(46)54-32(12-4)24-36-16-20-40-28(8)44(49)53-30(10-2)22-34-14-18-38(51-34)26(6)42(47)55-31(11-3)23-35-15-19-39(27(7)43(48)52-29)56(35)45-57(36)40/h25-40H,9-24,45H2,1-8H3/q+1
InChIKey TWIIPZFHEHFZHY-UHFFFAOYSA-N
Instrument Name Bruker CXP-300
Literature Reference H. Saito, R. Tabeta, M. Yokoi, Magn. Res. Chem. 26, 775 (1988).
NMR Standard see comment
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany