Ammonium glycyrrhetate
azanium (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
Also Known As: Ammonium glycyrrhetinate|Monoammonium glycyrrhetinate|Monoammonium glycyrrhetate|ammonium glycyrrhetate|Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-, ammonium salt|(3-beta,20-beta)-3-Hydroxy-11-oxoolean-12-en-29-oic acid monoammonium salt|Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, monoammonium salt, (3-beta,20-beta)-|Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-, ammonium salt (8CI)|azanium (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
| Molecular Formula | C30H49NO4 |
|---|---|
| Molecular Weight | 487.36615 g/mol |
| LogP | 5.4541 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 487.36615 |
| Monoisotopic Mass | 487.36615 |
| Heavy Atoms | 35 |
| Complexity | 959.0 |
Chemical Identifiers
| CAS Number | 7239-50-1 |
|---|---|
| SMILES | C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)[O-].[NH4+] |
| InChIKey | QDWKGBODFCIIJK-IHMBCTQLSA-N |
Product Overview
Ammonium glycyrrhetate (CAS 7239-50-1), with molecular formula C30H49NO4 and molecular weight 487.36615 g/mol. IUPAC: azanium (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate.