K0O
Summary
| Name: | Aspterric Acid |
| Synonyms: | (1~{S},5~{S},8~{R},9~{R})-8-oxidanyl-4-propan-2-ylidene-10-oxatricyclo[7.2.1.0^{1,5}]dodecane-8-carboxylic acid |
| Formula: | C15 H22 O4 |
| Formal charge: | 0 |
| Formula weight: | 266.333 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},5~{S},8~{R},9~{R})-8-oxidanyl-4-propan-2-ylidene-10-oxatricyclo[7.2.1.0^{1,5}]dodecane-8-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H22O4/c1-9(2)10-3-5-14-7-12(19-8-14)15(18,13(16)17)6-4-11(10)14/h11-12,18H,3-8H2,1-2H3,(H,16,17)/t11-,12+,14+,15+/m0/s1 |
| InChIKey | InChI | 1.06 | IOYVXXQKVQKQIG-CTHBEMJXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=C1CC[C@]23CO[C@H](C2)[C@](O)(CC[C@@H]13)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)=C1CC[C]23CO[CH](C2)[C](O)(CC[CH]13)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=C1CC[C@@]23[C@H]1CC[C@@]([C@@H](C2)OC3)(C(=O)O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=C1CCC23C1CCC(C(C2)OC3)(C(=O)O)O)C |
