WNC
Summary
| Name: | (5~{S},6~{S},11~{S})-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,13-dione |
| Formula: | C17 H22 O8 |
| Formal charge: | 0 |
| Formula weight: | 354.352 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{S},6~{S},11~{S})-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,13-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H22O8/c1-9-3-2-4-11(19)16(22)12(20)5-6-24-14-8-10(18)7-13(21)15(14)17(23)25-9/h7-9,12,16,18,20-22H,2-6H2,1H3/t9-,12-,16-/m0/s1 |
| InChIKey | InChI | 1.06 | AVHRJYOJBJIPBS-HCYDYPBKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCCC(=O)[C@@H](O)[C@@H](O)CCOc2cc(O)cc(O)c2C(=O)O1 |
| SMILES | CACTVS | 3.385 | C[CH]1CCCC(=O)[CH](O)[CH](O)CCOc2cc(O)cc(O)c2C(=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCCC(=O)[C@H]([C@H](CCOc2cc(cc(c2C(=O)O1)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCC(=O)C(C(CCOc2cc(cc(c2C(=O)O1)O)O)O)O |
