| SpectraBase Compound ID | 44kECeXC4yi |
|---|---|
| InChI | InChI=1S/C18H19ClO7/c1-8-4-14-15(26-14)6-10(21)3-2-9(20)5-11-16(18(24)25-8)12(22)7-13(23)17(11)19/h2-3,7-8,10,14-15,21-23H,4-6H2,1H3/b3-2+/t8-,10+,14+,15+/m0/s1 |
| InChIKey | BDHDUOMSMIFYEX-BHSJHAFESA-N |
| Mol Weight | 382.8 g/mol |
| Molecular Formula | C18H19ClO7 |
| Exact Mass | 382.081931 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GCNSoTpyUca |
|---|---|
| Name | Pochonin B |
| Appearance | Brownish oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H19ClO7 |
| InChI | InChI=1S/C18H19ClO7/c1-8-4-14-15(26-14)6-10(21)3-2-9(20)5-11-16(18(24)25-8)12(22)7-13(23)17(11)19/h2-3,7-8,10,14-15,21-23H,4-6H2,1H3/b3-2+/t8-,10+,14+,15+/m0/s1 |
| InChIKey | BDHDUOMSMIFYEX-BHSJHAFESA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020556v |
| Molecular Weight | 382.796 g/mol |
| Reported Formula | C18H19ClO7 |
| SMILES | Oc1cc(c2C(O[C@](C[C@@]3([C@@](C[C@@](\C=C\C(Cc2c1Cl)=O)(O)[H])(O3)[H])[H])(C)[H])=O)O |
| SPLASH | splash10-00lr-9400000000-bc3283ea8f130ed83e3f |
| Source of Spectrum | G4-66-835-4 |
| Wiley ID | 1881419 |