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Tetranactin-calcium complex cation

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Tetranactin-calcium complex cation
SpectraBase Compound ID HRaIOZyMKck
InChI InChI=1S/C44H72O12.Ca.H/c1-9-29-21-33-13-17-38(49-33)26(6)42(46)54-31(11-3)23-35-15-19-40(51-35)28(8)44(48)56-32(12-4)24-36-16-20-39(52-36)27(7)43(47)55-30(10-2)22-34-14-18-37(50-34)25(5)41(45)53-29;;/h25-40H,9-24H2,1-8H3;;/q;+1;
InChIKey CCLLRXNWXOBEJK-UHFFFAOYSA-N
Mol Weight 834.1 g/mol
Molecular Formula C44H73CaO12
Exact Mass 833.472794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6gOikBUoDLP
Name Tetranactin-calcium complex cation
Comments SOLID STATE, REFERENCED TO GLYCINE(176.03) PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H73CaO12
InChI InChI=1S/C44H72O12.Ca.H/c1-9-29-21-33-13-17-38(49-33)26(6)42(46)54-31(11-3)23-35-15-19-40(51-35)28(8)44(48)56-32(12-4)24-36-16-20-39(52-36)27(7)43(47)55-30(10-2)22-34-14-18-37(50-34)25(5)41(45)53-29;;/h25-40H,9-24H2,1-8H3;;/q;+1;
InChIKey CCLLRXNWXOBEJK-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