| SpectraBase Compound ID | GX0839AW75k |
|---|---|
| InChI | InChI=1S/C22H30O6/c1-2-13-25-20-18(26-14-15-9-5-3-6-10-15)16(23)17(24)19-21(20)28-22(27-19)11-7-4-8-12-22/h2-3,5-6,9-10,16-21,23-24H,1,4,7-8,11-14H2/t16-,17-,18+,19+,20-,21+/m0/s1 |
| InChIKey | HAUAZEZUSLLFGA-MKUJHJDCSA-N |
| Mol Weight | 390.48 g/mol |
| Molecular Formula | C22H30O6 |
| Exact Mass | 390.204239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7JXQoTprf25 |
|---|---|
| Name | (-)-3-o-allyl-4-o-benzyl-1,2-o-cyclohexylidene-myo-inositol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.204238680 u |
| Formula | C22H30O6 |
| InChI | InChI=1S/C22H30O6/c1-2-13-25-20-18(26-14-15-9-5-3-6-10-15)16(23)17(24)19-21(20)28-22(27-19)11-7-4-8-12-22/h2-3,5-6,9-10,16-21,23-24H,1,4,7-8,11-14H2/t16-,17-,18+,19+,20-,21+/m0/s1 |
| InChIKey | HAUAZEZUSLLFGA-MKUJHJDCSA-N |
| Molecular Weight | 390.476 g/mol |
| SMILES | [C@]12([C@]([C@@](OCC=C)([C@@]([C@]([C@@]2(O)[H])(O)[H])(OCC2=CC=CC=C2)[H])[H])(OC2(O1)CCCCC2)[H])[H] |