| SpectraBase Compound ID | JhAByxTX7B4 |
|---|---|
| InChI | InChI=1S/C28H32O8/c1-7-9-11-13-16(29)18-20-21(28(6)22(31)15(3)24(33)36-28)19(17(30)14-12-10-8-2)26(4,23(18)32)25(34)27(20,5)35/h7-14,19-21,29,31,35H,1-6H3/b9-7+,10-8+,13-11+,14-12+,18-16-/t19-,20-,21-,26-,27+,28-/m0/s1 |
| InChIKey | POOKHYNGUAZJAE-SPDJXUAJSA-N |
| Mol Weight | 496.6 g/mol |
| Molecular Formula | C28H32O8 |
| Exact Mass | 496.209718 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FQDYIp96RBm |
|---|---|
| Name | Bislongiquinolide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H32O8 |
| InChI | InChI=1S/C28H32O8/c1-7-9-11-13-16(29)18-20-21(28(6)22(31)15(3)24(33)36-28)19(17(30)14-12-10-8-2)26(4,23(18)32)25(34)27(20,5)35/h7-14,19-21,29,31,35H,1-6H3/b9-7+,10-8+,13-11+,14-12+,18-16-/t19-,20-,21-,26-,27+,28-/m0/s1 |
| InChIKey | POOKHYNGUAZJAE-SPDJXUAJSA-N |
| Molecular Weight | 496.556 g/mol |
| SMILES | O\C(=C\1C([C@]2(C([C@@]([C@@]1([C@@]([C@@]1(OC(C(=C1O)C)=O)C)([C@@]2(C(\C=C\C=C\C)=O)[H])[H])[H])(O)C)=O)C)=O)\C=C\C=C\C |
| SPLASH | splash10-000t-4292400000-cd98b35a73c9d5050d9a |
| Source of Spectrum | JA-50-255-0 |
| Wiley ID | 1398267 |