Classics_Amygdalin.c13
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.c13
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 |
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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 |
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Data last updated | February 3, 2025 |
Metadata last updated | February 3, 2025 |
Created | February 3, 2025 |
Format | HTML |
License | Attribution 4.0 International |
Id | 0dbb7de5-1308-4195-aa12-65425499fff9 |
Package id | nmrxiv-d3059 |
Resource type | HTML |
State | active |