| SpectraBase Compound ID | EsJ1qK3jsMZ |
|---|---|
| InChI | InChI=1S/C28H48N2O3/c1-15-13-28(32-5)25(30-14-15)16(2)24-22(33-28)12-20-23-19(7-9-27(20,24)4)26(3)8-6-18(29)10-17(26)11-21(23)31/h15-25,30-31H,6-14,29H2,1-5H3/t15?,16-,17?,18?,19?,20?,21-,22+,23?,24?,25?,26?,27?,28?/m0/s1 |
| InChIKey | MINWXMCVTBYDGJ-UWNVSWNGSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C28H48N2O3 |
| Exact Mass | 460.366493 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DvjbUMjBqos |
|---|---|
| Name | 7.beta.-hydroxy-O-methyl-solanocapsin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48N2O3 |
| InChI | InChI=1S/C28H48N2O3/c1-15-13-28(32-5)25(30-14-15)16(2)24-22(33-28)12-20-23-19(7-9-27(20,24)4)26(3)8-6-18(29)10-17(26)11-21(23)31/h15-25,30-31H,6-14,29H2,1-5H3/t15?,16-,17?,18?,19?,20?,21-,22+,23?,24?,25?,26?,27?,28?/m0/s1 |
| InChIKey | MINWXMCVTBYDGJ-UWNVSWNGSA-N |
| Molecular Weight | 460.703 g/mol |
| SMILES | NC1CCC2(C(C[C@@](C3C4C(C5[C@](OC6(C([C@]5(C)[H])NCC(C6)C)OC)(C4)[H])(CCC23)C)(O)[H])C1)C |
| SPLASH | splash10-0bti-5900200000-67ceb2f095b5d1ab44f1 |
| Source of Spectrum | X3-35-131-p |
| Wiley ID | 1691780 |