Showing Metabocard for 6alpha-hydroxyestrone (BASm0007650)
| Common Name | 6alpha-hydroxyestrone |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C18H22O3 |
| Average Mass | 286.37100 |
| Monoisotopic Mass | 286.15689 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C[C@]12CC[C@@H]3c4ccc(O)cc4[C@@H](O)C[C@H]3[C@@H]1CCC2=O |
| InChI Identifier | InChI=1S/C18H22O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-16,19-20H,4-7,9H2,1H3/t12?,13?,15?,16?,18-/m0/s1 |
| InChI Key | HTORTGVWUGQTHQ-FWTITTNTSA-N |
| CHEBI ID | CHEBI:87605 |
| HMDB ID | HMDB0154985 |
| State | Not Available |
| 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 |