Classics_Amygdalin.hmbc
Dataset description:
This dataset contains NMR spectra obtained for the sample -Classics_Amygdalin date: 2005-07-19T15:43:24.000Z isFt: false name: Classics_Amygdalin/1 phc0: -154.7712 phc1: -5.6 type: NMR...
Source: Classics_Amygdalin.hmbc
Chemical Info
| InChI | InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1 |
|---|---|
| SMILES | N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=CC=C1 |
| InChI Key | XUCIJNAGGSZNQT-JHSLDZJXSA-N |
| Molecular Formula | C20H27NO11 |
| Exact Mass | 457.400 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 3, 2025 |
| Metadata last updated | February 3, 2025 |
| Created | February 3, 2025 |
| Format | HTML |
| License | Attribution 4.0 International |
| Id | 42455c04-e426-4836-8047-36fc2202de99 |
| Package id | nmrxiv-d3063 |
| Resource type | HTML |
| State | active |