WMX
Summary
| Name: | (4~{S},9~{S},10~{S})-17-(ethoxymethoxy)-4-methyl-9,10,19-tris(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione |
| Formula: | C22 H32 O8 |
| Formal charge: | 0 |
| Formula weight: | 424.485 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S},9~{S},10~{S})-17-(ethoxymethoxy)-4-methyl-9,10,19-tris(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H32O8/c1-3-28-13-29-16-11-15-8-4-5-9-17(23)21(26)18(24)10-6-7-14(2)30-22(27)20(15)19(25)12-16/h11-12,14,17,21,23,25-26H,3-10,13H2,1-2H3/t14-,17?,21?/m0/s1 |
| InChIKey | InChI | 1.06 | KDOYDBOXSWPABK-UAXOWTEWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOCOc1cc(O)c2C(=O)O[C@@H](C)CCCC(=O)[C@@H](O)[C@@H](O)CCCCc2c1 |
| SMILES | CACTVS | 3.385 | CCOCOc1cc(O)c2C(=O)O[CH](C)CCCC(=O)[CH](O)[CH](O)CCCCc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOCOc1cc2c(c(c1)O)C(=O)O[C@H](CCCC(=O)[C@H]([C@H](CCCC2)O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOCOc1cc2c(c(c1)O)C(=O)OC(CCCC(=O)C(C(CCCC2)O)O)C |
