A1EGL
Summary
| Name: | [(2S,4S,6S,8S,10R,12R,14R,16R,18R,20R)-12-acetyloxy-2,4,6,10,14,16,18,20,22-nonakis(oxidanyl)docosan-8-yl] ethanoate |
| Formula: | C26 H50 O13 |
| Formal charge: | 0 |
| Formula weight: | 570.667 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},4~{S},6~{S},8~{S},10~{R},12~{R},14~{R},16~{R},18~{R},20~{R})-12-acetyloxy-2,4,6,10,14,16,18,20,22-nonakis(oxidanyl)docosan-8-yl] ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H50O13/c1-15(28)6-19(32)8-22(35)11-25(38-16(2)29)13-24(37)14-26(39-17(3)30)12-23(36)10-21(34)9-20(33)7-18(31)4-5-27/h15,18-28,31-37H,4-14H2,1-3H3/t15-,18+,19-,20+,21+,22-,23+,24+,25-,26+/m0/s1 |
| InChIKey | InChI | 1.06 | KNZHZBPEWADAET-WIIBHWIMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H](C[C@@H](O)C[C@@H](C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)CCO)OC(C)=O)OC(C)=O |
| SMILES | CACTVS | 3.385 | C[CH](O)C[CH](O)C[CH](O)C[CH](C[CH](O)C[CH](C[CH](O)C[CH](O)C[CH](O)C[CH](O)CCO)OC(C)=O)OC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](CCO)O)O)O)O)OC(=O)C)O)OC(=O)C)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CCO)O)O)O)O)OC(=O)C)O)OC(=O)C)O)O)O |
