A1ET8
Summary
| Name: | (4S,8S,11S,12E)-4-methyl-8,11,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one |
| Formula: | C18 H24 O6 |
| Formal charge: | 0 |
| Formula weight: | 336.38 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S},8~{S},11~{S},12~{E})-4-methyl-8,11,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H24O6/c1-11-3-2-4-13(19)7-8-14(20)6-5-12-9-15(21)10-16(22)17(12)18(23)24-11/h5-6,9-11,13-14,19-22H,2-4,7-8H2,1H3/b6-5+/t11-,13-,14+/m0/s1 |
| InChIKey | InChI | 1.06 | NCXPTKPSQNXPKF-ILBBBIAVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCC[C@H](O)CC[C@H](O)\C=C\c2cc(O)cc(O)c2C(=O)O1 |
| SMILES | CACTVS | 3.385 | C[CH]1CCC[CH](O)CC[CH](O)C=Cc2cc(O)cc(O)c2C(=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCC[C@@H](CC[C@@H](/C=C/c2cc(cc(c2C(=O)O1)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCC(CCC(C=Cc2cc(cc(c2C(=O)O1)O)O)O)O |
