WM6
Summary
| Name: | (4~{R},5~{S},6~{S})-4,5,6,15,17-pentakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione |
| Formula: | C16 H20 O9 |
| Formal charge: | 0 |
| Formula weight: | 356.325 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R},5~{S},6~{S})-4,5,6,15,17-pentakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H20O9/c17-8-5-10(19)13-12(6-8)25-7-11(20)15(22)14(21)9(18)3-1-2-4-24-16(13)23/h5-6,11,14-15,17,19-22H,1-4,7H2/t11-,14+,15+/m1/s1 |
| InChIKey | InChI | 1.06 | JTDNYLVWHABXBF-UGFHNGPFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1COc2cc(O)cc(O)c2C(=O)OCCCCC(=O)[C@@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1COc2cc(O)cc(O)c2C(=O)OCCCCC(=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc2c(c1O)C(=O)OCCCCC(=O)[C@H]([C@H]([C@@H](CO2)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc2c(c1O)C(=O)OCCCCC(=O)C(C(C(CO2)O)O)O)O |
