| SpectraBase Compound ID | HMfvsZ1FbT |
|---|---|
| InChI | InChI=1S/C44H60N12/c1-3-5-7-9-11-13-15-17-19-25-31-55-43-49-39-35-29-23-24-30-36(35)40(46-39)50-44-52-42(54-56(44)32-26-20-18-16-14-12-10-8-6-4-2)48-38-34-28-22-21-27-33(34)37(45-38)47-41(51-43)53-55/h21-24,27-30H,3-20,25-26,31-32H2,1-2H3,(H2,45,46,47,48,49,50,51,52,53,54) |
| InChIKey | LJRVQJZQVSBPII-UHFFFAOYSA-N |
| Mol Weight | 757.0 g/mol |
| Molecular Formula | C44H60N12 |
| Exact Mass | 756.50639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B0Bpd7oUxuI |
|---|---|
| Name | |
| Comments | REGIOISOMERIC MIXTURE, LINE AT 168.20 IS CHANGED TO 163.20 PPM - REASSIGNED A.H. |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C44H60N12 |
| InChI | InChI=1S/C44H60N12/c1-3-5-7-9-11-13-15-17-19-25-31-55-43-49-39-35-29-23-24-30-36(35)40(46-39)50-44-52-42(54-56(44)32-26-20-18-16-14-12-10-8-6-4-2)48-38-34-28-22-21-27-33(34)37(45-38)47-41(51-43)53-55/h21-24,27-30H,3-20,25-26,31-32H2,1-2H3,(H2,45,46,47,48,49,50,51,52,53,54) |
| InChIKey | LJRVQJZQVSBPII-UHFFFAOYSA-N |
| Instrument Name | Bruker WP-200 |
| Literature Reference | F. Fernandez-Lazaro, J. De Mendoza, O.Mo, J. Chem. Soc. Perkin II 797 (1989). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |