| SpectraBase Compound ID | Gk7JASYib4X |
|---|---|
| InChI | InChI=1S/C24H35Cl2NO5/c1-5-6-7-8-9-15(2)12-16(3)10-11-19(28)27-18-14-23(31)13-17(25)20(29)24(26,21(18)30)22(23)32-4/h10-13,15,18,21-22,30-31H,5-9,14H2,1-4H3,(H,27,28)/b11-10+,16-12+/t15-,18?,21-,22+,23-,24+/m1/s1 |
| InChIKey | MZPLGIXULRXDSO-RGSRKESYSA-N |
| Mol Weight | 488.5 g/mol |
| Molecular Formula | C24H35Cl2NO5 |
| Exact Mass | 487.189229 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BB4J1bJeXlV |
|---|---|
| Name | Gymnastatin Q |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H35Cl2NO5 |
| InChI | InChI=1S/C24H35Cl2NO5/c1-5-6-7-8-9-15(2)12-16(3)10-11-19(28)27-18-14-23(31)13-17(25)20(29)24(26,21(18)30)22(23)32-4/h10-13,15,18,21-22,30-31H,5-9,14H2,1-4H3,(H,27,28)/b11-10+,16-12+/t15-,18?,21-,22+,23-,24+/m1/s1 |
| InChIKey | MZPLGIXULRXDSO-RGSRKESYSA-N |
| Molecular Weight | 488.452 g/mol |
| SMILES | O[C@@]12C=C(C([C@]([C@@](C(C2)NC(\C=C\C(=C\[C@@](CCCCCC)(C)[H])C)=O)(O)[H])([C@]1(OC)[H])Cl)=O)Cl |
| SPLASH | splash10-054k-9750100000-9c59d86ceaac9cfc6288 |
| Source of Spectrum | G4-71-344-3 |
| Wiley ID | 1694964 |