Showing Metabocard for pentalenolactone D (BASm0004938)
| Common Name | Pentalenolactone d |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C15H20O4 |
| Average Mass | 264.32100 |
| Monoisotopic Mass | 264.13616 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C[C@@H]1C(=O)OC[C@H]2C(C(=O)[O-])=C[C@@H]3CC(C)(C)C[C@]312 |
| InChI Identifier | InChI=1S/C15H20O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,16,17)/t8-,9-,11+,15-/m1/s1 |
| InChI Key | MRLXXQBBRNRWDA-LIEMUPCESA-N |
| CHEBI ID | CHEBI:70787 |
| MiMeDB ID | MMDBc0016964 |
| State | Expected Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |