| SpectraBase Compound ID | LLRrYbZJvF7 |
|---|---|
| InChI | InChI=1S/C13H25NO5/c1-13(2)18-11-9(16)7-14(5-3-4-6-15)8-10(17)12(11)19-13/h9-12,15-17H,3-8H2,1-2H3/t9-,10-,11+,12+/m0/s1 |
| InChIKey | GOQKRANSANPJJY-NNYUYHANSA-N |
| Mol Weight | 275.34 g/mol |
| Molecular Formula | C13H25NO5 |
| Exact Mass | 275.173273 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7ThdI9TBs7x |
|---|---|
| Name | (3S,4R,5R,6S)-1-N-(4-Hydroxymethyl)propyl-3,4,5,6-tetrahydroxy-4,5-O-isopropylideneazepane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H25NO5 |
| InChI | InChI=1S/C13H25NO5/c1-13(2)18-11-9(16)7-14(5-3-4-6-15)8-10(17)12(11)19-13/h9-12,15-17H,3-8H2,1-2H3/t9-,10-,11+,12+/m0/s1 |
| InChIKey | GOQKRANSANPJJY-NNYUYHANSA-N |
| Molecular Weight | 275.345 g/mol |
| SMILES | O[C@@]1([C@@]2([C@@]([C@](CN(C1)CCCCO)(O)[H])(OC(O2)(C)C)[H])[H])[H] |
| SPLASH | splash10-1000-0980000000-3d2bdeabad8b122178a4 |
| Source of Spectrum | Y1-38-1319-3 |
| Synonyms | (3S,4R,5R,6S)-1-N-(4-Hydroxybutyl)-3,4,5,6-tetrahydroxy-4,5-isopropylideneazepane (3aR,4S,8S,8aR)-6-(4-hydroxybutyl)-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]azepine-4,8-diol (3aR,4S,8S,8aR)-2,2-dimethyl-6-(4-oxidanylbutyl)-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]azepine-4,8-diol |
| Wiley ID | 1527906 |