| SpectraBase Compound ID | 4YqgLAQ8t9i |
|---|---|
| InChI | InChI=1S/C21H25NO10/c22-7-6-11-13(30-21-18(28)17(27)16(26)14(9-23)31-21)8-12(24)19(15(11)25)32-20(29)10-4-2-1-3-5-10/h1-6,12-19,21,23-28H,8-9H2/b11-6+/t12-,13+,14+,15-,16+,17-,18+,19-,21+/m0/s1 |
| InChIKey | CMXAEQAICZQYKP-VZGYYIIOSA-N |
| Mol Weight | 451.43 g/mol |
| Molecular Formula | C21H25NO10 |
| Exact Mass | 451.147846 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DwqYZt1iqgO |
|---|---|
| Name | Lanceolin B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H25NO10 |
| InChI | InChI=1S/C21H25NO10/c22-7-6-11-13(30-21-18(28)17(27)16(26)14(9-23)31-21)8-12(24)19(15(11)25)32-20(29)10-4-2-1-3-5-10/h1-6,12-19,21,23-28H,8-9H2/b11-6+/t12-,13+,14+,15-,16+,17-,18+,19-,21+/m0/s1 |
| InChIKey | CMXAEQAICZQYKP-VZGYYIIOSA-N |
| Molecular Weight | 451.428 g/mol |
| SMILES | O[C@@]1([C@]([C@](O[C@]2(\C([C@@]([C@]([C@](C2)(O)[H])(OC(=O)c2ccccc2)[H])(O)[H])=C\C#N)[H])(O[C@@]([C@]1(O)[H])(CO)[H])[H])(O)[H])[H] |
| SPLASH | splash10-000i-0940000000-8725ce4132aca3850616 |
| Source of Spectrum | X2-57-974-2 |
| Wiley ID | 1605569 |