| SpectraBase Compound ID | EWyOs06kXLR |
|---|---|
| InChI | InChI=1S/C42H77NO7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(50-38(5)46)42(47)43-39(35-48-36(3)44)40(49-37(4)45)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h32,34,39-41H,6-31,33,35H2,1-5H3,(H,43,47)/b34-32+/t39?,40-,41-/m1/s1 |
| InChIKey | GRACDULVLICDMD-GOZKRSMMSA-N |
| Mol Weight | 708.1 g/mol |
| Molecular Formula | C42H77NO7 |
| Exact Mass | 707.570004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B81fzzijj7A |
|---|---|
| Name | Symbiramide triacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 707.570003816 u |
| Formula | C42H77NO7 |
| InChI | InChI=1S/C42H77NO7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(50-38(5)46)42(47)43-39(35-48-36(3)44)40(49-37(4)45)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h32,34,39-41H,6-31,33,35H2,1-5H3,(H,43,47)/b34-32+/t39?,40-,41-/m1/s1 |
| InChIKey | GRACDULVLICDMD-GOZKRSMMSA-N |
| SMILES | C(NC([C@](OC(=O)C)(CCCCCCCCCCCCCCC)[H])COC(=O)C)([C@](OC(=O)C)(\C=C\CCCCCCCCCCCCCC)[H])=O |