| SpectraBase Compound ID | 7TGopr1FBB6 |
|---|---|
| InChI | InChI=1S/C16H30O5/c1-2-3-4-5-6-13(18)14-9-7-11-12(17)8-10-15(19)16(11,20)21-14/h11-15,17-20H,2-10H2,1H3/t11-,12-,13+,14+,15+,16+/m1/s1 |
| InChIKey | PLZAVOYXRMPNBF-LGFJLYTPSA-N |
| Mol Weight | 302.41 g/mol |
| Molecular Formula | C16H30O5 |
| Exact Mass | 302.209324 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I8lIGlhHgwd |
|---|---|
| Name | Koninginin |
| Alternate Name(s) | 6-(1'-Hydroxyheptyl)-1,4,10-trihydroxy-(perhydro)-5-oxanaphthalene (2S,4aR,5R,8S,8aS)-2-[(1S)-1-hydroxyheptyl]-2,3,4,4a,5,6,7,8-octahydro-1-benzopyran-5,8,8a-triol (2S,4aR,5R,8S,8aS)-2-[(1S)-1-oxidanylheptyl]-2,3,4,4a,5,6,7,8-octahydrochromene-5,8,8a-triol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H30O5 |
| InChI | InChI=1S/C16H30O5/c1-2-3-4-5-6-13(18)14-9-7-11-12(17)8-10-15(19)16(11,20)21-14/h11-15,17-20H,2-10H2,1H3/t11-,12-,13+,14+,15+,16+/m1/s1 |
| InChIKey | PLZAVOYXRMPNBF-LGFJLYTPSA-N |
| Molecular Weight | 302.411 g/mol |
| SMILES | O[C@]([C@]1(O[C@]2([C@](CC1)([C@](O)(CC[C@@]2(O)[H])[H])[H])O)[H])(CCCCCC)[H] |
| SPLASH | splash10-001i-0910000000-853729b28a7c273f9122 |
| Source of Spectrum | G4-62-138-1 |
| Wiley ID | 1607671 |