| SpectraBase Compound ID | JOYGSDE0v0p |
|---|---|
| InChI | InChI=1S/C40H53N3O9/c1-4-5-6-7-11-20-34(44)48-24-15-14-19-31(42-26-29-16-9-8-10-17-29)36(46)38-39(52-40(41)47)37-32(50-37)23-22-27(2)25-33-43-30(28(3)49-33)18-12-13-21-35(45)51-38/h8-10,12-14,16-19,21,25,31-32,36-39,42,46H,4-7,11,15,20,22-24,26H2,1-3H3,(H2,41,47)/b18-12+,19-14+,21-13-,27-25-/t31?,32-,36+,37+,38+,39-/m1/s1 |
| InChIKey | AZMANMJVAPPDDM-PUHVYSCXSA-N |
| Mol Weight | 719.9 g/mol |
| Molecular Formula | C40H53N3O9 |
| Exact Mass | 719.37818 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CX6jskRpEf3 |
|---|---|
| Name | AZMANMJVAPPDDM-PUHVYSCXSA-N |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H53N3O9 |
| InChI | InChI=1S/C40H53N3O9/c1-4-5-6-7-11-20-34(44)48-24-15-14-19-31(42-26-29-16-9-8-10-17-29)36(46)38-39(52-40(41)47)37-32(50-37)23-22-27(2)25-33-43-30(28(3)49-33)18-12-13-21-35(45)51-38/h8-10,12-14,16-19,21,25,31-32,36-39,42,46H,4-7,11,15,20,22-24,26H2,1-3H3,(H2,41,47)/b18-12+,19-14+,21-13-,27-25-/t31?,32-,36+,37+,38+,39-/m1/s1 |
| InChIKey | AZMANMJVAPPDDM-PUHVYSCXSA-N |
| Literature Reference Author | L.G.ZAR,A.BISHARA,M.AKNIN,D.NEUMANN,N.BEN-CALIFA,Y.KASHMAN |
| Literature Reference Citation | MAR.DRUGS,11,4487(2013) |
| Literature Reference DOI | 10.3390/md11114487 |
| Molecular Weight | 719.876 g/mol |
| Source File Reference | UWBT6615 |