| SpectraBase Compound ID | 2yDhhR93s0w |
|---|---|
| InChI | InChI=1S/C27H34O7/c1-30-20-12-10-19(11-13-20)17-32-25-23(31-16-18-8-4-2-5-9-18)21(28)22(29)24-26(25)34-27(33-24)14-6-3-7-15-27/h2,4-5,8-13,21-26,28-29H,3,6-7,14-17H2,1H3/t21-,22-,23+,24+,25-,26+/m1/s1 |
| InChIKey | GLOLANWAWMDABA-RMLCQDLPSA-N |
| Mol Weight | 470.6 g/mol |
| Molecular Formula | C27H34O7 |
| Exact Mass | 470.230453 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3wPVmk4RbSZ |
|---|---|
| Name | (+)-6-o-benzyl-2,3-o-cyclohexylidene-1-o-(p-methoxybenzyl)-myo-inositol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.230453428 u |
| Formula | C27H34O7 |
| InChI | InChI=1S/C27H34O7/c1-30-20-12-10-19(11-13-20)17-32-25-23(31-16-18-8-4-2-5-9-18)21(28)22(29)24-26(25)34-27(33-24)14-6-3-7-15-27/h2,4-5,8-13,21-26,28-29H,3,6-7,14-17H2,1H3/t21-,22-,23+,24+,25-,26+/m1/s1 |
| InChIKey | GLOLANWAWMDABA-RMLCQDLPSA-N |
| Molecular Weight | 470.562 g/mol |
| SMILES | [C@]12([C@]([C@](O)([C@]([C@@]([C@]2(OCC=2C=CC(=CC2)OC)[H])(OCC=2C=CC=CC2)[H])(O)[H])[H])(OC2(O1)CCCCC2)[H])[H] |