| SpectraBase Compound ID | CK2AHenNqxm |
|---|---|
| InChI | InChI=1S/C36H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(40)36(41)37-33(32-38)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,31,33-35,38-40H,3-28,30,32H2,1-2H3,(H,37,41)/b31-29+/t33?,34-,35-/m1/s1 |
| InChIKey | LJKCPJOLKILGIR-NGJCEQQKSA-N |
| Mol Weight | 582.0 g/mol |
| Molecular Formula | C36H71NO4 |
| Exact Mass | 581.53831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2QPtgDAHv9 |
|---|---|
| Name | Symbiramide |
| Alternate Name(s) | (2R,3E)-2-hydroxy-N-[(2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-3-octadecenamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H71NO4 |
| InChI | InChI=1S/C36H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(40)36(41)37-33(32-38)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,31,33-35,38-40H,3-28,30,32H2,1-2H3,(H,37,41)/b31-29+/t33?,34-,35-/m1/s1 |
| InChIKey | LJKCPJOLKILGIR-NGJCEQQKSA-N |
| Molecular Weight | 581.967 g/mol |
| SMILES | N(C([C@@](\C=C\CCCCCCCCCCCCCC)(O)[H])=O)C(CO)[C@](O)(CCCCCCCCCCCCCCC)[H] |
| SPLASH | splash10-0006-9083020000-32a5424f7aa1a002ff8f |
| Source of Spectrum | KC-1992-349-1 |
| Wiley ID | 775904 |