Methyl glycyrrhetate
Basic information
- CAS
1477-44-7- Standard SMILES
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1- InChIKey
RMIVRCBSQPCSCQ-UHFFFAOYSA-N- Molecular formula
- C31H48O4
- Average molar mass
- 484.7 g/mol
- Monoisotopic mass
- 484.35526001
Overview
3b,18b-3-Methoxy-11-oxo-12-oleanen-30-oic acid is a triterpenoid.
Names & identifiers
- Preferred name
- Methyl glycyrrhetate
- IUPAC
- methyl 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
- English name
- 18-beta-Glycyrrhetinic acid methyl ester
- Molecular formula
- C31H48O4
- Molecular weight
- 484.71
Names & synonyms
Methyl glycyrrhetate3b,18b-3-Methoxy-11-oxo-12-oleanen-30-oic acidMethyl 18-beta-glycyrrhetateMethyl 18-beta-glycyrrhetinateOprea1_042704Methyl 18.beta.-glycyrrhetateSCHEMBL15513110Methyl 18.beta.-glycyrrhetinateCHEBI:175775RMIVRCBSQPCSCQ-UHFFFAOYSA-N5092-01-3AKOS000589067
Show more names
methylglycyrrhetate18-GLA methyl estermethylglycyrrhetinateMethyl 18β-glycyrrhetatemethyl18-beta-glycyrrhetatemethyl18-beta-glycyrrhetinateGlycyrrethetic acid methyl ester18-β-GLYCYRRHETINICACIDMETHYLESTER18-beta-Glycyrrhetinic acid methyl esterGLYCYRRHETINIC ACID METHYL ESTER, 18-BETA-
AKOS02428629618-beta-Glycyrrhetinic acid methylestermethyl 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-carboxylateST092794Methyl 3-hydroxy-11-oxoolean-12-en-29-oate #Olean-12-en-30-oic acid, 3.beta.-hydroxy-11-oxo-, methyl esterOlean-12-en-29-oic acid, 3-hydroxy-11-oxo-, methyl ester, (3.beta.,20.beta.)-methyl 18-hydroxy-1,2,5,8,15,19,19-heptamethyl-13-oxopentacyclo[12.8.0.0<2,11> .0<5,10>.0<15,20>]docos-11-ene-8-carboxylate
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 980
Experimental & physicochemical properties
Melting Point253 - 255 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 253 · 253~255℃
- Boiling point
- 170 · 170-190 °C(Press: 0.001 Torr)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 15.11 · 15.11±0.70(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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