| SpectraBase Compound ID | LhxReK8LBp3 |
|---|---|
| InChI | InChI=1S/C18H18Cl2O6/c1-9-6-13(22)12(19)5-3-2-4-10(21)7-11-16(18(25)26-9)14(23)8-15(24)17(11)20/h2-5,8-9,12-13,22-24H,6-7H2,1H3/b4-2+,5-3-/t9-,12?,13-/m0/s1 |
| InChIKey | MQEXBOUTQRMRFJ-NOEJZYACSA-N |
| Mol Weight | 401.24 g/mol |
| Molecular Formula | C18H18Cl2O6 |
| Exact Mass | 400.048044 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 12ygS7vUeuE |
|---|---|
| Name | Pochonin C |
| Appearance | Brownish oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H18Cl2O6 |
| InChI | InChI=1S/C18H18Cl2O6/c1-9-6-13(22)12(19)5-3-2-4-10(21)7-11-16(18(25)26-9)14(23)8-15(24)17(11)20/h2-5,8-9,12-13,22-24H,6-7H2,1H3/b4-2+,5-3-/t9-,12?,13-/m0/s1 |
| InChIKey | MQEXBOUTQRMRFJ-NOEJZYACSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020556v |
| Molecular Weight | 401.242 g/mol |
| Reported Formula | C18H18Cl2O6 |
| SMILES | Oc1cc(c2C(O[C@](C[C@@](C(\C=C/C=C/C(Cc2c1Cl)=O)Cl)(O)[H])(C)[H])=O)O |
| SPLASH | splash10-0ue9-1961000000-d39b65295bc248e28ec3 |
| Source of Spectrum | G4-66-835-6 |
| Wiley ID | 1881421 |