| SpectraBase Compound ID | 7M76IA3wQVy |
|---|---|
| InChI | InChI=1S/C39H56N6O7/c1-2-3-12-22-39(52)34(42-23-13-10-19-32(37(48)49)43-35(46)28-40-26-30-15-6-4-7-16-30)21-25-45(39)24-14-11-20-33(38(50)51)44-36(47)29-41-27-31-17-8-5-9-18-31/h4-9,15-18,21,25,32-33,40-41,52H,2-3,10-14,19-20,22-24,26-29H2,1H3,(H,43,46)(H,44,47)(H,48,49)(H,50,51)/b42-34+ |
| InChIKey | PGQAWVVHDCJJGU-GGGSGSEDSA-N |
| Mol Weight | 720.9 g/mol |
| Molecular Formula | C39H56N6O7 |
| Exact Mass | 720.421048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lTmyIlV8mb |
|---|---|
| Name | PGQAWVVHDCJJGU-GGGSGSEDSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H56N6O7 |
| InChI | InChI=1S/C39H56N6O7/c1-2-3-12-22-39(52)34(42-23-13-10-19-32(37(48)49)43-35(46)28-40-26-30-15-6-4-7-16-30)21-25-45(39)24-14-11-20-33(38(50)51)44-36(47)29-41-27-31-17-8-5-9-18-31/h4-9,15-18,21,25,32-33,40-41,52H,2-3,10-14,19-20,22-24,26-29H2,1H3,(H,43,46)(H,44,47)(H,48,49)(H,50,51)/b42-34+ |
| InChIKey | PGQAWVVHDCJJGU-GGGSGSEDSA-N |
| Literature Reference Author | K.ITAKURA,T.OSAWA,K.UCHIDA |
| Literature Reference Citation | J.ORG.CHEM.,63,185(1998) |
| Literature Reference DOI | 10.1021/jo971239+ |
| Molecular Weight | 720.910 g/mol |
| Solvent | D2O |
| Source File Reference | UWSI27183 |