![(4S,7R,8R)-7-(Benzyloxy)-9-[(tert-butyldiphenylsilyl)oxy]-8-[(methylsulfonyl)oxy]non-1-en-4-amine](/api/spectrum/A51ZSW9U9BH/structure.png?h=300&w=458 "(4S,7R,8R)-7-(Benzyloxy)-9-[(tert-butyldiphenylsilyl)oxy]-8-[(methylsulfonyl)oxy]non-1-en-4-amine")
| SpectraBase Compound ID | Ap1nFajXeY5 |
|---|---|
| InChI | InChI=1S/C33H45NO5SSi/c1-6-16-28(34)23-24-31(37-25-27-17-10-7-11-18-27)32(39-40(5,35)36)26-38-41(33(2,3)4,29-19-12-8-13-20-29)30-21-14-9-15-22-30/h6-15,17-22,28,31-32H,1,16,23-26,34H2,2-5H3/t28-,31-,32-/m1/s1 |
| InChIKey | JIJANFGHIFQZCO-DOTMXCTOSA-N |
| Mol Weight | 595.9 g/mol |
| Molecular Formula | C33H45NO5SSi |
| Exact Mass | 595.278771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A51ZSW9U9BH |
|---|---|
| Name | (4S,7R,8R)-7-(Benzyloxy)-9-[(tert-butyldiphenylsilyl)oxy]-8-[(methylsulfonyl)oxy]non-1-en-4-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 595.278771257 u |
| Formula | C33H45NO5SSi |
| InChI | InChI=1S/C33H45NO5SSi/c1-6-16-28(34)23-24-31(37-25-27-17-10-7-11-18-27)32(39-40(5,35)36)26-38-41(33(2,3)4,29-19-12-8-13-20-29)30-21-14-9-15-22-30/h6-15,17-22,28,31-32H,1,16,23-26,34H2,2-5H3/t28-,31-,32-/m1/s1 |
| InChIKey | JIJANFGHIFQZCO-DOTMXCTOSA-N |
| Molecular Weight | 595.870 g/mol |
| SMILES | C=CC[C@](CC[C@]([C@@](CO[Si](C=1C=CC=CC1)(C=1C=CC=CC1)C(C)(C)C)(OS(=O)(=O)C)[H])(OCC=1C=CC=CC1)[H])(N)[H] |