A1ET9
Summary
| Name: | (4S,6R,12E)-4-methyl-6,16,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione |
| Formula: | C18 H22 O6 |
| Formal charge: | 0 |
| Formula weight: | 334.364 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S},6~{R},12~{E})-4-methyl-6,16,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H22O6/c1-11-7-14(20)9-13(19)6-4-2-3-5-12-8-15(21)10-16(22)17(12)18(23)24-11/h3,5,8,10-11,14,20-22H,2,4,6-7,9H2,1H3/b5-3+/t11-,14+/m0/s1 |
| InChIKey | InChI | 1.06 | GJFPDPNMJOCHCT-IVDNPREJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1C[C@@H](O)CC(=O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1 |
| SMILES | CACTVS | 3.385 | C[CH]1C[CH](O)CC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1C[C@H](CC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)O)O |
