2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate
TL;DR: 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate (CAS 140366-50-3) is a chemical compound with molecular formula C38H60O11 and molecular weight 692.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4,5-trihydroxy-6-[[2-hydroxy-4-(hydroxymethyl)-8a-methoxycarbonyl-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]oxane-2-carboxylate
Also Known As: methyl 3,4,5-trihydroxy-6-[[2-hydroxy-4-(hydroxymethyl)-8a-methoxycarbonyl-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]oxane-2-carboxylate, beta-D-Glucopyranosiduronic acid, (2-alpha,3-beta,4-alpha)-2,23-dihydroxy-28-methoxy-28-oxours-12-en-3-yl-, methyl ester, 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate, beta-D-Glucopyranosiduronic acid, (2alpha,3beta,4alpha)-2,23-dihydroxy-28-methoxy-28-oxours-12-en-3-yl, methyl ester, 9-Acetoxy-2-(1,2-dimethylpropyl)-8-((beta-D-glucopyranosyl)oxy)-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydro-2,4a,7,7,10a,12a-hexamethyl-3-oxochrysene-1-carboxylic acid
| Molecular Formula | C38H60O11 |
|---|---|
| Molecular Weight | 692.41 g/mol |
| LogP | 3.126 |
| Topological Polar Surface Area | 172.21 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 692.4136 |
| Heavy Atoms | 49 |
| Complexity | 1336.2584 |
Chemical Identifiers
| CAS Number | 140366-50-3 |
|---|---|
| SMILES | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(C(O6)C(=O)OC)O)O)O)O)C)C)C2C1C)C)C(=O)OC |
Product Overview
2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate (CAS 140366-50-3), with molecular formula C38H60O11 and molecular weight 692.41 g/mol. IUPAC: methyl 3,4,5-trihydroxy-6-[[2-hydroxy-4-(hydroxymethyl)-8a-methoxycarbonyl-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]oxane-2-carboxylate.
Chemical Property Profile of 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate
Property Insights of 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate
The XLogP value of 3.126 indicates that 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.21 Ų indicates high polarity, suggesting 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate?
The CAS number of 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate is 140366-50-3.
What is the molecular formula of 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate?
The molecular formula of 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate is C38H60O11.
What is the molecular weight of 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate?
The molecular weight of 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate is 692.41 g/mol.
Where can I buy 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate?
You can request a quote for 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate?
Yes, KEHONG BIO provides custom synthesis services for 2,23-Dihydroxy-28-methoxy-28-oxours-12-en-3-yl methyl hexopyranosiduronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.