J5X
Summary
| Name: | Gibberellin A9 |
| Formula: | C19 H24 O4 |
| Formal charge: | 0 |
| Formula weight: | 316.391 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1 |
| InChIKey | InChI | 1.03 | MHVYWTXXZIFXDT-YGNOGLJPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]12CCC[C@@]3(OC1=O)[C@@H]4CC[C@@H]5C[C@]4(CC5=C)[C@H]([C@H]23)C(O)=O |
| SMILES | CACTVS | 3.385 | C[C]12CCC[C]3(OC1=O)[CH]4CC[CH]5C[C]4(CC5=C)[CH]([CH]23)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC12CCCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O |
