| SpectraBase Compound ID | 3RB5XcEvFJN |
|---|---|
| InChI | InChI=1S/C22H34O6/c1-12-9-16-13(2)11-26-22(5,7-6-8-23)21-18(16)19(20(12)27-15(4)25)17(28-21)10-14(3)24/h8,12-13,16-21H,6-7,9-11H2,1-5H3/t12-,13+,16?,17?,18+,19+,20-,21?,22+/m1/s1 |
| InChIKey | JCKGLZCOLJWKSN-NFWLELTISA-N |
| Mol Weight | 394.5 g/mol |
| Molecular Formula | C22H34O6 |
| Exact Mass | 394.235539 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DYc8N1Ze49L |
|---|---|
| Name | seco-asbestinin B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O6 |
| InChI | InChI=1S/C22H34O6/c1-12-9-16-13(2)11-26-22(5,7-6-8-23)21-18(16)19(20(12)27-15(4)25)17(28-21)10-14(3)24/h8,12-13,16-21H,6-7,9-11H2,1-5H3/t12-,13+,16?,17?,18+,19+,20-,21?,22+/m1/s1 |
| InChIKey | JCKGLZCOLJWKSN-NFWLELTISA-N |
| Molecular Weight | 394.508 g/mol |
| SMILES | [C@@]12([C@]3(C([C@@](OC[C@@](C3C[C@]([C@]1(OC(=O)C)[H])(C)[H])(C)[H])(CCC=O)C)OC2CC(=O)C)[H])[H] |
| SPLASH | splash10-0561-1920000000-13d78be09c39ade92f72 |
| Source of Spectrum | G4-69-1726-7 |
| Wiley ID | 1694584 |