| SpectraBase Compound ID | GERTQUJVQp |
|---|---|
| InChI | InChI=1S/C29H49N5O9/c1-8-17(4)23-28(41)33(7)24(16(2)3)29(42)32(6)18(5)25(38)30-12-11-22(37)43-21(14-19(36)15-35)27(40)34-13-9-10-20(34)26(39)31-23/h16-21,23-24,35-36H,8-15H2,1-7H3,(H,30,38)(H,31,39)/t17?,18-,19?,20?,21?,23-,24-/m0/s1 |
| InChIKey | DJYDCIUMNXZSBH-UZUXGYDBSA-N |
| Mol Weight | 611.7 g/mol |
| Molecular Formula | C29H49N5O9 |
| Exact Mass | 611.353028 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | biuvf4YkDW |
|---|---|
| Name | Destruxin e-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H49N5O9 |
| InChI | InChI=1S/C29H49N5O9/c1-8-17(4)23-28(41)33(7)24(16(2)3)29(42)32(6)18(5)25(38)30-12-11-22(37)43-21(14-19(36)15-35)27(40)34-13-9-10-20(34)26(39)31-23/h16-21,23-24,35-36H,8-15H2,1-7H3,(H,30,38)(H,31,39)/t17?,18-,19?,20?,21?,23-,24-/m0/s1 |
| InChIKey | DJYDCIUMNXZSBH-UZUXGYDBSA-N |
| Molecular Weight | 611.737 g/mol |
| SMILES | N1C(C2N(C(C(CC(CO)O)OC(CCNC([C@@](N(C([C@@](N(C([C@@]1(C(CC)C)[H])=O)C)(C(C)C)[H])=O)C)(C)[H])=O)=O)=O)CCC2)=O |
| SPLASH | splash10-03di-0005129000-6330110384ce4793677a |
| Source of Spectrum | X2-56-647-8 |
| Wiley ID | 1604859 |