| 2D Structure | |
| CID | 10247670 |
| Target | / |
| IUPAC Name | 4-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol |
| InChI | InChI=1S/C20H20O6/c1-22-17-6-11(2-4-15(17)21)19-13-8-24-20(14(13)9-23-19)12-3-5-16-18(7-12)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19+,20+/m0/s1 |
| InChI Key | VBIRCRCPHNUJAS-AFHBHXEDSA-N |
| Canonical SMILES | COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)O |
| Isomeric SMILES | COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC5=C(C=C4)OCO5)O |
| Molecular Formula | C20H20O6 |
| Molecular Weight | 356.4 |
| synonyms | ['Piperitol', '(+)-piperitol', 'Regiomontanin', '52151-92-5', 'CLA6B4LBF3', 'Sesamin monocatechol 3-methylate', '4-((1S,3aR,4S,6aR)-4-(1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-C)furan-1-yl)-2-methoxyphenol', 'Phenol, 4-((1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-C)furan-1-yl)-2-methoxy-', '4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenol', 'UNII-CLA6B4LBF3', 'CHEMBL1688935', 'SCHEMBL12600768', 'CHEBI:141003', 'AKOS040760638', 'FS-8647', 'DA-59440', 'C21954', '4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol', 'PHENOL, 4-(4-(1,3-BENZODIOXOL-5-YL)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1-YL)-2-METHOXY-, (1S-(1.ALPHA.,3A.ALPHA.,4.ALPHA.,6A.ALPHA.))-', 'Phenol, 4-(4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-C)furan-1-yl)-2-methoxy-, (1S-(1alpha,3aalpha,4alpha,6aalpha))-'] |
From Pubchem