Dehydrocholate anion
- CAS:
- Other names:
- SMILES: O=C(CC1CC([C@@]2([H])[C@]3([H])CC[C@@H]([C@]34C)[C@H](C)CCC([O-])=O)=O)CC[C@]1(C)[C@@]2([H])CC4=O
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 401.52 | 7 | 0 | 2.74 | 91.34 | 4 | 22 | 0.83 | C24H33O5- |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| nt1151 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [b-Cyclodextrin](1).[Dehydrocholate anion] | 3.38 | 25.0 | Kenneth A. Connors 1995 | |||