UK0
Summary
| Name: | (4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid |
| Formula: | C20 H28 O3 |
| Formal charge: | 0 |
| Formula weight: | 316.435 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H28O3/c1-14-7-10-20(3)16(18(21)22)5-4-6-17(20)19(14,2)11-8-15-9-12-23-13-15/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t14-,17-,19+,20+/m1/s1 |
| InChIKey | InChI | 1.06 | HHWOKJDCJVESIF-JBCDFXQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C(O)=O)[C@@]1(C)CCc3cocc3 |
| SMILES | CACTVS | 3.385 | C[CH]1CC[C]2(C)[CH](CCC=C2C(O)=O)[C]1(C)CCc3cocc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCc3ccoc3)CCC=C2C(=O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCC2(C(C1(C)CCc3ccoc3)CCC=C2C(=O)O)C |
