| SpectraBase Compound ID | Dpjzu7mEiTV |
|---|---|
| InChI | InChI=1S/C22H30O6/c1-4-12-25-19-17(23)18(24)20(26-13-5-2)22(21(19)27-14-6-3)28-15-16-10-8-7-9-11-16/h4-11,17-24H,1-3,12-15H2/t17-,18+,19-,20-,21+,22+/m1/s1 |
| InChIKey | ZBNCJERDJRCTLO-HJEMKOJISA-N |
| Mol Weight | 390.48 g/mol |
| Molecular Formula | C22H30O6 |
| Exact Mass | 390.204239 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3jTW3IHKOQO |
|---|---|
| Name | (-)-3,4,6-Tri-O-allyl-5-O-benzyl-myo-inositol |
| Alternate Name(s) | (1S,2R,3R,4S,5S,6R)-3,4,6-tris(allyloxy)-5-(benzyloxy)-1,2-cyclohexanediol (1S,2R,3R,4S,5S,6R)-3,4,6-triallyloxy-5-benzyloxy-cyclohexane-1,2-diol (1R,2S,3R,4S,5S,6R)-4-phenylmethoxy-3,5,6-tris(prop-2-enoxy)cyclohexane-1,2-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O6 |
| InChI | InChI=1S/C22H30O6/c1-4-12-25-19-17(23)18(24)20(26-13-5-2)22(21(19)27-14-6-3)28-15-16-10-8-7-9-11-16/h4-11,17-24H,1-3,12-15H2/t17-,18+,19-,20-,21+,22+/m1/s1 |
| InChIKey | ZBNCJERDJRCTLO-HJEMKOJISA-N |
| Molecular Weight | 390.476 g/mol |
| SMILES | O[C@@]1([C@]([C@@]([C@]([C@@]([C@@]1(O)[H])(OCC=C)[H])(OCC=C)[H])(OCc1ccccc1)[H])(OCC=C)[H])[H] |
| SPLASH | splash10-0006-9001000000-e2fab564bd6a755f207f |
| Source of Spectrum | J-63-5434-5 |
| Wiley ID | 1364895 |