| SpectraBase Compound ID | 8hatLOlzrdt |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-13-8-18(24)20(12-22)15(10-21)4-3-5-17(20)19(13,2)9-16(23)14-6-7-25-11-14/h6-7,10-11,13,15-18,22-24H,3-5,8-9,12H2,1-2H3/t13-,15-,16+,17-,18+,19?,20+/m1/s1 |
| InChIKey | KWZXENAAJWFFES-QBIGUGAKSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K5rXqDBxhMp |
|---|---|
| Name | Teumassilenin A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-13-8-18(24)20(12-22)15(10-21)4-3-5-17(20)19(13,2)9-16(23)14-6-7-25-11-14/h6-7,10-11,13,15-18,22-24H,3-5,8-9,12H2,1-2H3/t13-,15-,16+,17-,18+,19?,20+/m1/s1 |
| InChIKey | KWZXENAAJWFFES-QBIGUGAKSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | O[C@@](CC1([C@@]2([C@@](CO)([C@](C[C@]1(C)[H])(O)[H])[C@](CCC2)(C=O)[H])[H])C)(c1cocc1)[H] |
| SPLASH | splash10-05be-6931000000-2ba2f639d35b09b15b25 |
| Source of Spectrum | G4-61-1245-1 |
| Synonyms | 15,16-Epoxy-6.alpha.,12,19-trihydroxyneocleroda-1(16),14-dien-18.beta.-al |
| Wiley ID | 1607465 |