| SpectraBase Compound ID | 78dLszhWgwL |
|---|---|
| InChI | InChI=1S/C28H53NO2Si2/c1-12-23(2)21-24(3)15-13-14-16-28(31-33(9,10)11)27(29(4)5)22-25-17-19-26(20-18-25)30-32(6,7)8/h13,15,17-20,23-24,27-28H,12,14,16,21-22H2,1-11H3/b15-13+/t23-,24+,27+,28-/m1/s1 |
| InChIKey | JNRQXDAAFWURJM-BEKSMXJGSA-N |
| Mol Weight | 491.9 g/mol |
| Molecular Formula | C28H53NO2Si2 |
| Exact Mass | 491.361483 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ENIUIzWInTj |
|---|---|
| Name | Antibiotic jm 971A, 2tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 491.361483019 u |
| Formula | C28H53NO2Si2 |
| InChI | InChI=1S/C28H53NO2Si2/c1-12-23(2)21-24(3)15-13-14-16-28(31-33(9,10)11)27(29(4)5)22-25-17-19-26(20-18-25)30-32(6,7)8/h13,15,17-20,23-24,27-28H,12,14,16,21-22H2,1-11H3/b15-13+/t23-,24+,27+,28-/m1/s1 |
| InChIKey | JNRQXDAAFWURJM-BEKSMXJGSA-N |
| Molecular Weight | 491.907 g/mol |
| SMILES | C1(=CC=C(C=C1)O[Si](C)(C)C)C[C@@]([C@](O[Si](C)(C)C)(CC\C=C\[C@@](C[C@@](CC)(C)[H])(C)[H])[H])(N(C)C)[H] |