A1EGH
Summary
| Name: | [(3S,5S,7S,9R,11S,13S)-1,3,7,9,11,13,15-heptakis(oxidanyl)pentadecan-5-yl] ethanoate |
| Formula: | C17 H34 O9 |
| Formal charge: | 0 |
| Formula weight: | 382.446 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(3~{S},5~{S},7~{S},9~{R},11~{S},13~{S})-1,3,7,9,11,13,15-heptakis(oxidanyl)pentadecan-5-yl] ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H34O9/c1-11(20)26-17(9-13(22)3-5-19)10-16(25)8-15(24)7-14(23)6-12(21)2-4-18/h12-19,21-25H,2-10H2,1H3/t12-,13-,14-,15+,16-,17-/m0/s1 |
| InChIKey | InChI | 1.06 | QTUYODIOALURPJ-LTAJLKHCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)O[C@@H](C[C@@H](O)CCO)C[C@@H](O)C[C@H](O)C[C@@H](O)C[C@@H](O)CCO |
| SMILES | CACTVS | 3.385 | CC(=O)O[CH](C[CH](O)CCO)C[CH](O)C[CH](O)C[CH](O)C[CH](O)CCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)O[C@@H](C[C@H](CCO)O)C[C@H](C[C@@H](C[C@H](C[C@H](CCO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)OC(CC(CCO)O)CC(CC(CC(CC(CCO)O)O)O)O |
