| SpectraBase Compound ID | 3ysoIttRP0i |
|---|---|
| InChI | InChI=1S/C19H31NO8/c1-23-12-15-16(24-2)17(25-3)18(26-4)19(28-15)27-14-10-6-5-8-13(14)9-7-11-20(21)22/h5,8,10,13,15-19H,6-7,9,11-12H2,1-4H3/t13-,15-,16-,17+,18-,19?/m1/s1 |
| InChIKey | NNEHJMCRSWOSDN-RRYPLGMKSA-N |
| Mol Weight | 401.46 g/mol |
| Molecular Formula | C19H31NO8 |
| Exact Mass | 401.204967 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8pn9yX2yTv3 |
|---|---|
| Name | 1.beta.-(per-O-Methyl-.beta.,D-glucopyranosyloxy)-6-(3-nitropropyl)-1,4-cyclohexadiene |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H31NO8 |
| InChI | InChI=1S/C19H31NO8/c1-23-12-15-16(24-2)17(25-3)18(26-4)19(28-15)27-14-10-6-5-8-13(14)9-7-11-20(21)22/h5,8,10,13,15-19H,6-7,9,11-12H2,1-4H3/t13-,15-,16-,17+,18-,19?/m1/s1 |
| InChIKey | NNEHJMCRSWOSDN-RRYPLGMKSA-N |
| Molecular Weight | 401.456 g/mol |
| SMILES | C1([C@@]([C@@](OC)([C@@]([C@](O1)(COC)[H])(OC)[H])[H])(OC)[H])OC=1[C@](C=CCC1)(CCCN(=O)=O)[H] |
| SPLASH | splash10-000b-9600000000-b544163d1c3cbfdbeb51 |
| Source of Spectrum | QC-1-558-21 |
| Wiley ID | 882928 |