| SpectraBase Compound ID | AmmUQuXN64D |
|---|---|
| InChI | InChI=1S/C12H23NO6/c1-12(2)18-10-8(16)3-13(7(5-14)6-15)4-9(17)11(10)19-12/h7-11,14-17H,3-6H2,1-2H3/t8-,9+,10-,11-/m1/s1 |
| InChIKey | AZBOPIBZIUAFES-LMLFDSFASA-N |
| Mol Weight | 277.32 g/mol |
| Molecular Formula | C12H23NO6 |
| Exact Mass | 277.152537 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GOU26Q2HolE |
|---|---|
| Name | (3R,4R,5R,6S)-1-N-(2-(1,3-Dihydroxypropyl)-3,4,5,6-tetrahydroxy-4,5-isopropylideneazepane |
| Alternate Name(s) | (3aR,4S,8R,8aR)-6-(1,3-dihydroxypropan-2-yl)-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]azepine-4,8-diol (3aR,4S,8R,8aR)-6-[2-hydroxy-1-(hydroxymethyl)ethyl]-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]azepine-4,8-diol (3aR,4S,8R,8aR)-6-[1,3-bis(oxidanyl)propan-2-yl]-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]azepine-4,8-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H23NO6 |
| InChI | InChI=1S/C12H23NO6/c1-12(2)18-10-8(16)3-13(7(5-14)6-15)4-9(17)11(10)19-12/h7-11,14-17H,3-6H2,1-2H3/t8-,9+,10-,11-/m1/s1 |
| InChIKey | AZBOPIBZIUAFES-LMLFDSFASA-N |
| Molecular Weight | 277.317 g/mol |
| SMILES | O[C@@]1(CN(C(CO)CO)C[C@@]([C@@]2([C@@]1(OC(O2)(C)C)[H])[H])(O)[H])[H] |
| SPLASH | splash10-0072-0490000000-d1b8941c3bbc70b55d00 |
| Source of Spectrum | Y1-38-1319-4 |
| Wiley ID | 1527901 |