| SpectraBase Compound ID | AjCu2hXHW1x |
|---|---|
| InChI | InChI=1S/C33H39NO13/c1-15(35)39-14-24-27(41-17(3)37)28(42-18(4)38)29-31(43-24)47-32(5,46-29)45-23-10-8-20-21-13-19-7-9-22(40-16(2)36)26-25(19)33(20,30(23)44-26)11-12-34(21)6/h7-10,20-21,23-24,27-31H,11-14H2,1-6H3/t20-,21+,23-,24-,27-,28+,29-,30-,31+,32-,33-/m0/s1 |
| InChIKey | PYVALFCYPRLWET-UAKRTJLZSA-N |
| Mol Weight | 657.7 g/mol |
| Molecular Formula | C33H39NO13 |
| Exact Mass | 657.24214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ivv6Rruy4vC |
|---|---|
| Name | PYVALFCYPRLWET-UAKRTJLZSA-N |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H39NO13 |
| InChI | InChI=1S/C33H39NO13/c1-15(35)39-14-24-27(41-17(3)37)28(42-18(4)38)29-31(43-24)47-32(5,46-29)45-23-10-8-20-21-13-19-7-9-22(40-16(2)36)26-25(19)33(20,30(23)44-26)11-12-34(21)6/h7-10,20-21,23-24,27-31H,11-14H2,1-6H3/t20-,21+,23-,24-,27-,28+,29-,30-,31+,32-,33-/m0/s1 |
| InChIKey | PYVALFCYPRLWET-UAKRTJLZSA-N |
| Literature Reference Author | P.KOVAC,K.C.RICE |
| Literature Reference Citation | HETEROCYCLES,41,697(1995) |
| Literature Reference DOI | 10.3987/COM-94-6957 |
| Molecular Weight | 657.672 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP5735 |