![3-[(4',6'-Dimethyl-1'-oxododeca-2',4'-dienyl)amino]-4a-hydroxy-6,8-dichloro-7-oxo-octahydrobenzopyran](/api/spectrum/2bDyJwY9sO/structure.png?h=300&w=458 "3-[(4',6'-Dimethyl-1'-oxododeca-2',4'-dienyl)amino]-4a-hydroxy-6,8-dichloro-7-oxo-octahydrobenzopyran")
| SpectraBase Compound ID | APIaMnTHwt |
|---|---|
| InChI | InChI=1S/C23H33Cl2NO4/c1-4-5-6-7-8-15(2)13-16(3)9-10-18(27)26-19-11-12-23(29)14-17(24)21(28)20(25)22(23)30-19/h9-10,13-15,19-20,22,29H,4-8,11-12H2,1-3H3,(H,26,27)/b10-9+,16-13+/t15-,19?,20?,22+,23?/m1/s1 |
| InChIKey | ZKNPXWGDSRFQFV-ZTDGWIQUSA-N |
| Mol Weight | 458.4 g/mol |
| Molecular Formula | C23H33Cl2NO4 |
| Exact Mass | 457.178664 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2bDyJwY9sO |
|---|---|
| Name | 3-[(4',6'-Dimethyl-1'-oxododeca-2',4'-dienyl)amino]-4a-hydroxy-6,8-dichloro-7-oxo-octahydrobenzopyran |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H33Cl2NO4 |
| InChI | InChI=1S/C23H33Cl2NO4/c1-4-5-6-7-8-15(2)13-16(3)9-10-18(27)26-19-11-12-23(29)14-17(24)21(28)20(25)22(23)30-19/h9-10,13-15,19-20,22,29H,4-8,11-12H2,1-3H3,(H,26,27)/b10-9+,16-13+/t15-,19?,20?,22+,23?/m1/s1 |
| InChIKey | ZKNPXWGDSRFQFV-ZTDGWIQUSA-N |
| Molecular Weight | 458.426 g/mol |
| SMILES | N(C1O[C@@]2(C(C=C(C(C2Cl)=O)Cl)(CC1)O)[H])C(\C=C\C(=C\[C@@](CCCCCC)(C)[H])C)=O |
| SPLASH | splash10-0a6s-5890100000-16b8d543cc33e69397fc |
| Source of Spectrum | G4-71-344-6 |
| Synonyms | Dankastatin B |
| Wiley ID | 1714048 |