W8E
Summary
| Name: | 3-[(2~{S},3~{R})-7-ethoxy-2-(3-ethoxy-4-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol |
| Formula: | C23 H30 O6 |
| Formal charge: | 0 |
| Formula weight: | 402.481 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(2~{S},3~{R})-7-ethoxy-2-(3-ethoxy-4-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H30O6/c1-4-27-20-13-16(8-9-19(20)26-3)22-18(14-25)17-11-15(7-6-10-24)12-21(28-5-2)23(17)29-22/h8-9,11-13,18,22,24-25H,4-7,10,14H2,1-3H3/t18-,22+/m0/s1 |
| InChIKey | InChI | 1.06 | NWARZTAQZRDFKR-PGRDOPGGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1cc(ccc1OC)[C@H]2Oc3c(OCC)cc(CCCO)cc3[C@@H]2CO |
| SMILES | CACTVS | 3.385 | CCOc1cc(ccc1OC)[CH]2Oc3c(OCC)cc(CCCO)cc3[CH]2CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1cc(ccc1OC)[C@@H]2[C@H](c3cc(cc(c3O2)OCC)CCCO)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1cc(ccc1OC)C2C(c3cc(cc(c3O2)OCC)CCCO)CO |
