WN8
Summary
| Name: | (6~{S},7~{S},12~{S})-12-methyl-6,7,16,18-tetrakis(oxidanyl)-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-8,14-dione |
| Formula: | C18 H24 O8 |
| Formal charge: | 0 |
| Formula weight: | 368.378 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (6~{S},7~{S},12~{S})-12-methyl-6,7,16,18-tetrakis(oxidanyl)-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-8,14-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H24O8/c1-10-4-2-5-12(20)17(23)13(21)6-3-7-25-15-9-11(19)8-14(22)16(15)18(24)26-10/h8-10,13,17,19,21-23H,2-7H2,1H3/t10-,13?,17+/m0/s1 |
| InChIKey | InChI | 1.06 | OHMMQAZYIHWRGL-PFRTXPISSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCCC(=O)[C@@H](O)[C@@H](O)CCCOc2cc(O)cc(O)c2C(=O)O1 |
| SMILES | CACTVS | 3.385 | C[CH]1CCCC(=O)[CH](O)[CH](O)CCCOc2cc(O)cc(O)c2C(=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCCC(=O)[C@H]([C@H](CCCOc2cc(cc(c2C(=O)O1)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCC(=O)C(C(CCCOc2cc(cc(c2C(=O)O1)O)O)O)O |
