W5W
Summary
| Name: | (1S,2S,11aS)-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11a-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione |
| Formula: | C18 H20 O7 |
| Formal charge: | 0 |
| Formula weight: | 348.347 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{S},11~{a}~{S})-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11~{a}-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H20O7/c1-7-6-10(19)8(2)13-11(7)17(22)25-14-9(3)12(20)15(21)18(4,23-5)16(14)24-13/h6,15-16,19,21H,1-5H3/t15-,16+,18+/m1/s1 |
| InChIKey | InChI | 1.06 | KMXWTZIYEQGIFH-RYRKJORJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@]1(C)[C@H](O)C(=O)C(=C2OC(=O)c3c(C)cc(O)c(C)c3O[C@H]12)C |
| SMILES | CACTVS | 3.385 | CO[C]1(C)[CH](O)C(=O)C(=C2OC(=O)c3c(C)cc(O)c(C)c3O[CH]12)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c2c1C(=O)OC3=C(C(=O)[C@H]([C@]([C@H]3O2)(C)OC)O)C)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c2c1C(=O)OC3=C(C(=O)C(C(C3O2)(C)OC)O)C)C)O |
