Tri(O-methoxy)magnesium salt of beta-glycyrrhizic acid
Basic information
- CAS
134771-72-5- Standard SMILES
CC1(C(=O)[O-])CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CC(OC6OC(C(=O)[O-])C(OC7OC(C(=O)[O-])C(O)C(O)C7O)C(O)C6O)CC(C)(C)C5CCC43C)C2C1.C[O-].C[O-].C[O-].[Mg+2].[Mg+2].[Mg+2]- InChIKey
MHGVDLIOHXBHMM-UHFFFAOYSA-K- Molecular formula
- C45H68Mg3O19
- Average molar mass
- 985.9 g/mol
- Monoisotopic mass
- 984.390605
Names & identifiers
- Preferred name
- Tri(O-methoxy)magnesium salt of beta-glycyrrhizic acid
- IUPAC
- trimagnesium;6-[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate;methanolate
Names & synonyms
Tri(O-methoxy)magnesium salt of beta-glycyrrhizic acid134771-72-5Magnesium, (mu-3-((3-beta,20-beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 4-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronato(3-)))trimethoxytri-RefChem:385721
Database identifiers
- CAS
134771-72-5- PubChem CID
- 3077573
Properties
Computed structural properties
- Topological polar surface area
- 345 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 6
- Heavy atoms
- 67
- Formal charge
- 0
- Complexity
- 1,730
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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