TZU
Summary
| Name: | (3R,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methyl)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one |
| Synonyms: | GR24 |
| Formula: | C17 H16 O5 |
| Formal charge: | 0 |
| Formula weight: | 300.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methyl)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one |
| OpenEye OEToolkits | 2.0.7 | (3~{R},3~{a}~{R},8~{b}~{S})-3-[[(2~{R})-4-methyl-5-oxidanylidene-2~{H}-furan-2-yl]oxymethyl]-3,3~{a},4,8~{b}-tetrahydroindeno[1,2-b]furan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1OC2C(Cc3ccccc32)C1COC1C=C(C)C(=O)O1 |
| InChI | InChI | 1.06 | InChI=1S/C17H16O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,12-15H,7-8H2,1H3/t12-,13+,14-,15-/m1/s1 |
| InChIKey | InChI | 1.06 | SBWWVZFWHGNNPM-LXTVHRRPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C[C@H](OC[C@H]2[C@H]3Cc4ccccc4[C@H]3OC2=O)OC1=O |
| SMILES | CACTVS | 3.385 | CC1=C[CH](OC[CH]2[CH]3Cc4ccccc4[CH]3OC2=O)OC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C[C@@H](OC1=O)OC[C@H]2[C@H]3Cc4ccccc4[C@H]3OC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(OC1=O)OCC2C3Cc4ccccc4C3OC2=O |
