| SpectraBase Compound ID | Ca3ORxzN8vf |
|---|---|
| InChI | InChI=1S/C30H44O4Si/c1-5-15-24(31)22-27(28-23-32-30(33-28)20-13-8-14-21-30)34-35(29(2,3)4,25-16-9-6-10-17-25)26-18-11-7-12-19-26/h6-7,9-12,16-19,24,27-28,31H,5,8,13-15,20-23H2,1-4H3/t24-,27-,28-/m1/s1 |
| InChIKey | CZCZVXYQFFDACS-RYRVMRHHSA-N |
| Mol Weight | 496.8 g/mol |
| Molecular Formula | C30H44O4Si |
| Exact Mass | 496.300886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 78TP2LXrCbn |
|---|---|
| Name | (4R,6R,7R)-6-Tert-butyldiphenylsilyloxy-7,8-cyclohexylidenedioxyoctan-4-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 496.300886428 u |
| Formula | C30H44O4Si |
| InChI | InChI=1S/C30H44O4Si/c1-5-15-24(31)22-27(28-23-32-30(33-28)20-13-8-14-21-30)34-35(29(2,3)4,25-16-9-6-10-17-25)26-18-11-7-12-19-26/h6-7,9-12,16-19,24,27-28,31H,5,8,13-15,20-23H2,1-4H3/t24-,27-,28-/m1/s1 |
| InChIKey | CZCZVXYQFFDACS-RYRVMRHHSA-N |
| Molecular Weight | 496.763 g/mol |
| SMILES | [C@@](O[Si](C(C)(C)C)(C=1C=CC=CC1)C1=CC=CC=C1)([C@@]1(OC2(CCCCC2)OC1)[H])(C[C@](O)(CCC)[H])[H] |