A1EYL
Summary
| Name: | (3~{S},3~{a}~{R},6~{S},6~{a}~{R})-3,6-bis(3,4-dimethoxyphenyl)-1,3,3~{a},4,6,6~{a}-hexahydrofuro[3,4-c]furan |
| Formula: | C22 H26 O6 |
| Formal charge: | 0 |
| Formula weight: | 386.438 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S},3~{a}~{R},6~{S},6~{a}~{R})-3,6-bis(3,4-dimethoxyphenyl)-1,3,3~{a},4,6,6~{a}-hexahydrofuro[3,4-c]furan |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1 |
| InChIKey | InChI | 1.06 | PEUUVVGQIVMSAW-RZTYQLBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1OC)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c4ccc(OC)c(OC)c4 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1OC)[CH]2OC[CH]3[CH]2CO[CH]3c4ccc(OC)c(OC)c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1OC)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)c4ccc(c(c4)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1OC)C2C3COC(C3CO2)c4ccc(c(c4)OC)OC |
