Hydroxybisnorcholenic acid
2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid
Also Known As: Hydroxybisnorcholenic acid|5-amino-9-diethylamino-benzo[a]phenoxazinylium|2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid
CAS: 566-77-8
| Molecular Formula | C22H34O3 |
|---|---|
| Molecular Weight | 346.2508 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.2508 |
| Monoisotopic Mass | 346.2508 |
| Heavy Atoms | 25 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 566-77-8 |
|---|---|
| SMILES | CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(=O)O |
| InChIKey | NPBNRBWMDNZEBN-UHFFFAOYSA-N |
Product Overview
Hydroxybisnorcholenic acid (CAS 566-77-8), with molecular formula C22H34O3 and molecular weight 346.2508 g/mol. IUPAC: 2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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