MNZ
Summary
| Name: | (4~{a}~{R},5~{S},6~{R},8~{S},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid |
| Formula: | C20 H28 O4 |
| Formal charge: | 0 |
| Formula weight: | 332.434 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{a}~{R},5~{S},6~{R},8~{S},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H28O4/c1-13-11-17(21)20(3)15(18(22)23)5-4-6-16(20)19(13,2)9-7-14-8-10-24-12-14/h5,8,10,12-13,16-17,21H,4,6-7,9,11H2,1-3H3,(H,22,23)/t13-,16-,17+,19+,20+/m1/s1 |
| InChIKey | InChI | 1.03 | XWKYXEIGWQYOCY-KWLVRGKZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CCC=C2C(O)=O)[C@@]1(C)CCc3cocc3 |
| SMILES | CACTVS | 3.385 | C[CH]1C[CH](O)[C]2(C)[CH](CCC=C2C(O)=O)[C]1(C)CCc3cocc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CCc3ccoc3)CCC=C2C(=O)O)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(C2(C(C1(C)CCc3ccoc3)CCC=C2C(=O)O)C)O |
