Ammonium glycyrrhetate
Basic information
- CAS
7239-50-1- Standard SMILES
CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12.[NH4+]- InChIKey
QDWKGBODFCIIJK-IHMBCTQLSA-N- Molecular formula
- C30H49NO4
- Average molar mass
- 487.7 g/mol
- Monoisotopic mass
- 487.36615904
Names & identifiers
- Preferred name
- Ammonium glycyrrhetate
- 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
Names & synonyms
7239-50-1ammonium glycyrrhetateRefChem:1076667Monoammonium glycyrrhetinateAmmonium glycyrrhetinateMonoammonium glycyrrhetateOlean-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 saltOlean-12-en-29-oic acid, 3-hydroxy-11-oxo-, monoammonium salt, (3-beta,20-beta)-
Database identifiers
- CAS
7239-50-1- PubChem CID
- 201991
Properties
Computed structural properties
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 959
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Compound notes
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