Cerbroside
TL;DR: Cerbroside (CAS 11005-70-2) is a chemical compound with molecular formula C42H66O18 and molecular weight 858.4249 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3S,5R,10S,13R,14S,17R)-14-hydroxy-3-[(2S,3R,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Cerberoside, Cerbroside, Thevetin B, Cerberosid, Cerberosid [German]
Technical Specifications
| Molecular Formula | C42H66O18 |
| Molecular Weight | 858.4249 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 273.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 858.4249 Da |
| Heavy Atoms | 60 |
| Complexity | 1570.0 |
| SMILES | C[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)OC)O |
| InChIKey | QWNHCYWCKDKDMK-WKTATXSHSA-N |
Chemical Property Profile of Cerbroside
Property Insights of Cerbroside
The XLogP value of -1.6 indicates that Cerbroside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 273.0 Ų indicates high polarity, suggesting Cerbroside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cerbroside has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cerbroside?
The CAS number of Cerbroside is 11005-70-2.
What is the molecular formula of Cerbroside?
The molecular formula of Cerbroside is C42H66O18.
What is the molecular weight of Cerbroside?
The molecular weight of Cerbroside is 858.4249 g/mol.
Where can I buy Cerbroside?
You can request a quote for Cerbroside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cerbroside?
Yes, CoreyChem provides custom synthesis services for Cerbroside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.