8JG
Summary
| Name: | (7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid |
| Formula: | C20 H32 O4 |
| Formal charge: | 0 |
| Formula weight: | 336.466 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C43CC(O)C12CC(O)(C(C1)CCC2C3(C)CCCC4(C)C(=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C20H32O4/c1-17-7-4-8-18(2,16(22)23)14(17)9-15(21)20-10-12(5-6-13(17)20)19(3,24)11-20/h12-15,21,24H,4-11H2,1-3H3,(H,22,23)/t12-,13+,14+,15-,17+,18-,19-,20-/m1/s1 |
| InChIKey | InChI | 1.03 | HLTDMBIYZSPLMR-ONIYAHANSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]4(C)CCC[C@](C)([C@H]4C[C@H]3O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[C]1(O)C[C]23C[CH]1CC[CH]2[C]4(C)CCC[C](C)([CH]4C[CH]3O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)O)(C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC12CCCC(C1CC(C34C2CCC(C3)C(C4)(C)O)O)(C)C(=O)O |
