| SpectraBase Compound ID | BTa2T82izPz |
|---|---|
| InChI | InChI=1S/C33H42N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,21-22,24,27-29,31,34H,9-10,13,15-16H2,1-6H3/t18-,21+,22+,24+,27-,28+,29-,31+/m1/s1 |
| InChIKey | QJBGUWGDVNGYPU-TVNWTYCMSA-N |
| Mol Weight | 610.7 g/mol |
| Molecular Formula | C33H42N2O9 |
| Exact Mass | 610.289031 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FN2fao7jw75 |
|---|---|
| Name | 2,7-DIHYDROISORESERPINE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42N2O9 |
| InChI | InChI=1S/C33H42N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,21-22,24,27-29,31,34H,9-10,13,15-16H2,1-6H3/t18-,21+,22+,24+,27-,28+,29-,31+/m1/s1 |
| InChIKey | QJBGUWGDVNGYPU-TVNWTYCMSA-N |
| Literature Reference Author | M.BERNER,A.TOLVANEN,M.LOUNASMAA,R.JOKELA |
| Literature Reference Citation | HETEROCYCLES,51,2941(1999) |
| Literature Reference DOI | 10.3987/COM-99-8718 |
| Molecular Weight | 610.704 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP7051 |