| 2D Structure | |
| CID | 72964 |
| IUPAC Name | (1S,2S,6S,7S,9R,13R,17S)-11-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,16-dione |
| InChI | InChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3/t10-,12+,13+,15-,16?,19+,21-,22+/m1/s1 |
| InChI Key | BDQNCUODBJZKIY-NUPPOKJBSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C22H30O6 |
| Molecular Weight | 390.5 |
| synonyms | ['Neoquassin', 'Neoquassine', 'Simalikahemiacetal A', 'Nigakihemiacetal B', '76-77-7', '9MQ0P9426V', 'Picrasa-2,12-diene-1,11-dione, 16-hydroxy-2,12-dimethoxy-', 'NSC-139168', 'DTXSID30878618', 'RefChem:165373', 'DTXCID801016662', '(1S,2S,6S,7S,9R,13R,17S)-11-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo(7.7.1.02,7.013,17)heptadeca-4,14-diene-3,16-dione', '111-841-9', 'UNII-9MQ0P9426V', 'NSC139168', 'NSC 139168', 'NEOQUASSIN [MI]', 'CHEBI:7512', 'CHEMBL517757', 'SCHEMBL1276842', 'hydroxy-dimethoxy-tetramethyl-[?]dione', 'LMPR0106110001', 'HY-122932', 'CS-0090488', 'NS00006450', 'C08771', 'E88610', 'Q27107517'] |
From Pubchem