Barbatoside
TL;DR: Barbatoside (CAS 83348-25-8) is a chemical compound with molecular formula C21H30O13 and molecular weight 490.16864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1S,4aS,5S,6R,7S,7aR)-5,6-diacetyloxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Also Known As: Barbatoside, Cinchonan-6',9-diol, 6'-(3-methylbutanoate), (9S)- (9CI), Cyclopenta(c)pyran-4-carboxylic acid, 5,6-bis(acetyloxy)-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, methyl ester, (1S,4aS,5S,6R,7S,7aR)-, methyl (1S,4aS,5S,6R,7S,7aR)-5,6-bis(acetyloxy)-1-(beta-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate, methyl (1S,4aS,5S,6R,7S,7aR)-5,6-diacetyloxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Technical Specifications
| Molecular Formula | C21H30O13 |
| Molecular Weight | 490.16864 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 188.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.16864 Da |
| Heavy Atoms | 34 |
| Complexity | 812.0 |
| SMILES | C[C@H]1[C@@H]2[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC |
| InChIKey | LBSSFVCNVYMGJT-BRQHWSDLSA-N |
Product Description
Applications: Barbatoside is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Barbatoside (CAS 83348-25-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Barbatoside (CAS 83348-25-8) is a fine chemical with the molecular formula C21H30O13 and a molecular weight of 490.17 g/mol. It is also known as Barbatoside and Cinchonan-6',9-diol, 6'-(3-methylbutanoate), (9S)- (9CI).
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Barbatoside
Property Insights of Barbatoside
The XLogP value of -1.2 indicates that Barbatoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 188.0 Ų indicates high polarity, suggesting Barbatoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Barbatoside has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Barbatoside?
The CAS number of Barbatoside is 83348-25-8.
What is the molecular formula of Barbatoside?
The molecular formula of Barbatoside is C21H30O13.
What is the molecular weight of Barbatoside?
The molecular weight of Barbatoside is 490.16864 g/mol.
What are the applications of Barbatoside?
Barbatoside is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Barbatoside (CAS 83348-25-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS...
Where can I buy Barbatoside?
You can request a quote for Barbatoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Barbatoside?
Yes, CoreyChem provides custom synthesis services for Barbatoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.