Cerbertin
TL;DR: Cerbertin (CAS 7227-00-1) is a chemical compound with molecular formula C32H44O11 and molecular weight 604.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5S,6S)-2-[[(1S,2S,4R,5S,6R,9S,10R,13R,15S,18R)-18-formyl-9-hydroxy-5-methyl-6-(5-oxo-2H-furan-3-yl)-3-oxapentacyclo[8.8.0.02,4.05,9.013,18]octadecan-15-yl]oxy]-5-hydroxy-4-methoxy-6-methyloxan-3-yl] acetate
Also Known As: Cerbertin, [(2R,3S,4R,5S,6S)-2-[[(1S,2S,4R,5S,6R,9S,10R,13R,15S,18R)-18-formyl-9-hydroxy-5-methyl-6-(5-oxo-2H-furan-3-yl)-3-oxapentacyclo[8.8.0.02,4.05,9.013,18]octadecan-15-yl]oxy]-5-hydroxy-4-methoxy-6-methyloxan-3-yl] acetate, [(2S,3S,4R,6R)-2-[[(3S,5S,8R,9S,10S,11S,13R,14S,17R)-10-formyl-5,11,14-trihydroxy-13-methyl-12-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-6-methyl-tetrahydropyran-4-yl] acetate, 3beta-[(2-O-Acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxy-19-oxo-5beta,11alpha,12alpha-11,12-epoxycard-20(22)-enolide
| Molecular Formula | C32H44O11 |
|---|---|
| Molecular Weight | 604.29 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 604.2884 |
| Heavy Atoms | 43 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 7227-00-1 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3[C@H]5[C@H](O5)[C@]6([C@@]4(CC[C@@H]6C7=CC(=O)OC7)O)C)C=O)OC(=O)C)OC)O |
| InChIKey | NIVUJUXAQJVVHT-SXAYMNBUSA-N |
Product Overview
Cerbertin (CAS 7227-00-1), with molecular formula C32H44O11 and molecular weight 604.29 g/mol. IUPAC: [(2R,3S,4R,5S,6S)-2-[[(1S,2S,4R,5S,6R,9S,10R,13R,15S,18R)-18-formyl-9-hydroxy-5-methyl-6-(5-oxo-2H-furan-3-yl)-3-oxapentacyclo[8.8.0.02,4.05,9.013,18]octadecan-15-yl]oxy]-5-hydroxy-4-methoxy-6-methyloxan-3-yl] acetate.
Chemical Property Profile of Cerbertin
Property Insights of Cerbertin
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cerbertin. The TPSA of 150.0 Ų indicates high polarity, suggesting Cerbertin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cerbertin has 2 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 Cerbertin?
The CAS number of Cerbertin is 7227-00-1.
What is the molecular formula of Cerbertin?
The molecular formula of Cerbertin is C32H44O11.
What is the molecular weight of Cerbertin?
The molecular weight of Cerbertin is 604.29 g/mol.
Where can I buy Cerbertin?
You can request a quote for Cerbertin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cerbertin?
Yes, KEHONG BIO provides custom synthesis services for Cerbertin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.