ENE
Summary
| Name: | (4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL |
| Formula: | C22 H30 O8 |
| Formal charge: | 0 |
| Formula weight: | 422.469 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4Z)-2,8:7,12:11,15:14,18:17,22-pentaanhydro-4,5,6,9,10,13,19,20,21-nonadeoxy-L-arabino-L-allo-L-allo-docosa-4,9,20-trienitol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O3C1C(OC(CO)C(O)C=CC1)C=CC4OC2C(O)C5OCC=CCC5OC2CC34 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H]2C=C[C@H]3O[C@@H]4[C@@H](C[C@@H]3O[C@@H]2C\C=C/[C@@H]1O)O[C@H]5CC=CCO[C@@H]5[C@H]4O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH]2C=C[CH]3O[CH]4[CH](C[CH]3O[CH]2CC=C[CH]1O)O[CH]5CC=CCO[CH]5[CH]4O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@H]5[C@H](O4)C\C=C/[C@@H]([C@H](O5)CO)O)O[C@H]3[C@@H]2O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C=CCOC2C1OC3CC4C(C=CC5C(O4)CC=CC(C(O5)CO)O)OC3C2O |
| InChI | InChI | 1.03 | InChI=1S/C22H30O8/c23-11-19-12(24)4-3-6-13-14(28-19)7-8-15-17(27-13)10-18-22(30-15)20(25)21-16(29-18)5-1-2-9-26-21/h1-4,7-8,12-25H,5-6,9-11H2/b4-3-/t12-,13+,14-,15+,16-,17-,18+,19+,20+,21-,22+/m0/s1 |
| InChIKey | InChI | 1.03 | VDRIXSJOPKVWKM-HXGIDPQASA-N |
