| SpectraBase Compound ID | kcu0EnM346 |
|---|---|
| InChI | InChI=1S/C30H59NO2Si3/c1-14-25(2)23-26(3)17-15-16-18-30(33-36(11,12)13)29(31(4)34(5,6)7)24-27-19-21-28(22-20-27)32-35(8,9)10/h15,17,19-22,25-26,29-30H,14,16,18,23-24H2,1-13H3/b17-15+ |
| InChIKey | HZPKVHCMIADPCD-BMRADRMJSA-N |
| Mol Weight | 550.1 g/mol |
| Molecular Formula | C30H59NO2Si3 |
| Exact Mass | 549.38536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L53LndebLaR |
|---|---|
| Name | Antibiotic jm 971B, 3tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 549.385359747 u |
| Formula | C30H59NO2Si3 |
| InChI | InChI=1S/C30H59NO2Si3/c1-14-25(2)23-26(3)17-15-16-18-30(33-36(11,12)13)29(31(4)34(5,6)7)24-27-19-21-28(22-20-27)32-35(8,9)10/h15,17,19-22,25-26,29-30H,14,16,18,23-24H2,1-13H3/b17-15+ |
| InChIKey | HZPKVHCMIADPCD-BMRADRMJSA-N |
| Molecular Weight | 550.062 g/mol |
| SMILES | C1(=CC=C(C=C1)O[Si](C)(C)C)CC(C(O[Si](C)(C)C)CC\C=C\C(CC(CC)C)C)N([Si](C)(C)C)C |