W8O
Summary
| Name: | 3-[(2~{S},3~{R})-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol |
| Formula: | C21 H26 O6 |
| Formal charge: | 0 |
| Formula weight: | 374.428 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(2~{S},3~{R})-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H26O6/c1-24-17-7-6-14(11-18(17)25-2)20-16(12-23)15-9-13(5-4-8-22)10-19(26-3)21(15)27-20/h6-7,9-11,16,20,22-23H,4-5,8,12H2,1-3H3/t16-,20+/m0/s1 |
| InChIKey | InChI | 1.06 | UVPCDEDIFJYIPT-OXJNMPFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1OC)[C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1OC)[CH]2Oc3c(OC)cc(CCCO)cc3[CH]2CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1OC)[C@@H]2[C@H](c3cc(cc(c3O2)OC)CCCO)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1OC)C2C(c3cc(cc(c3O2)OC)CCCO)CO |
