3a,7a,12a-trihydroxy-5b-cholanoic acid
- CAS:
- Other names: cholate, CA
- SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Properties
| MW |
HBA |
HBD |
LogP |
TPSA |
Rot. |
Comp. |
Fsp3C |
Brutto formula |
| 408.57 |
5 |
4 |
3.45 |
97.99000000000001 |
4 |
22 |
0.96 |
C24H40O5 |
Availability
| Suppliers |
Supplier IDs |
Storage |
Storage ID |
Quantity |
Class |
Added |
|
|
|
VR_C34 |
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 |
| [Randomly methylated-b-Cyclodextrin (DS ~12)](1).[3a,7a,12a-trihydroxy-5b-cholanoic acid] |
3.43 |
1.40 |
|
25.0 |
Isothermal Titration Calorimetry |
Fredrik Ollila 2001 |