Glycyrrhetyl 30-monoglucuronide
TL;DR: Glycyrrhetyl 30-monoglucuronide (CAS 111510-20-4) is a chemical compound with molecular formula C36H54O10 and molecular weight 646.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[(2R,4aS,6aS,6bR,10S,12aS,14bS)-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-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Glycyrrhetyl 30-monoglucuronide, 1-(18beta-Glycyrrhet-30-yl)glucopyranuronic acid, 1-(18 beta-glycyrrhet-30-yl)glucopyranuronic acid, (2S,3S,4S,5R,6S)-6-[(2R,4aS,6aS,6bR,10S,12aS,14bS)-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-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, 1-O-(3-Hydroxy-11,29-dioxoolean-12-en-29-yl)hexopyranuronic acid
| Molecular Formula | C36H54O10 |
|---|---|
| Molecular Weight | 646.37 g/mol |
| LogP | 3.7634 |
| Topological Polar Surface Area | 170.82 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 646.3717 |
| Heavy Atoms | 46 |
| Complexity | 1341.5186 |
Chemical Identifiers
| CAS Number | 111510-20-4 |
|---|---|
| SMILES | C[C@]12CC[C@@](C[C@@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O |
Product Overview
Glycyrrhetyl 30-monoglucuronide (CAS 111510-20-4), with molecular formula C36H54O10 and molecular weight 646.37 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[(2R,4aS,6aS,6bR,10S,12aS,14bS)-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-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Glycyrrhetyl 30-monoglucuronide
Property Insights of Glycyrrhetyl 30-monoglucuronide
The XLogP value of 3.7634 indicates that Glycyrrhetyl 30-monoglucuronide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.82 Ų indicates high polarity, suggesting Glycyrrhetyl 30-monoglucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glycyrrhetyl 30-monoglucuronide has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glycyrrhetyl 30-monoglucuronide?
The CAS number of Glycyrrhetyl 30-monoglucuronide is 111510-20-4.
What is the molecular formula of Glycyrrhetyl 30-monoglucuronide?
The molecular formula of Glycyrrhetyl 30-monoglucuronide is C36H54O10.
What is the molecular weight of Glycyrrhetyl 30-monoglucuronide?
The molecular weight of Glycyrrhetyl 30-monoglucuronide is 646.37 g/mol.
Where can I buy Glycyrrhetyl 30-monoglucuronide?
You can request a quote for Glycyrrhetyl 30-monoglucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycyrrhetyl 30-monoglucuronide?
Yes, KEHONG BIO provides custom synthesis services for Glycyrrhetyl 30-monoglucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.