Cocculin
TL;DR: Cocculin (CAS 1217775-72-8) is a chemical compound with molecular formula C30H34O13 and molecular weight 602.19995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
Also Known As: Cocculin, Picrotoxinum, Picrotoxine, Cocculus, Picrotox
Technical Specifications
| Molecular Formula | C30H34O13 |
| Molecular Weight | 602.19995 g/mol |
| XLogP | -0.9292 |
| Topological Polar Surface Area (TPSA) | 191.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 2 |
| Exact Mass | 602.19995 Da |
| Heavy Atoms | 43 |
| Complexity | 1290.0 |
| SMILES | CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O |
| InChIKey | VJKUPQSHOVKBCO-UHFFFAOYSA-N |
Chemical Property Profile of Cocculin
Property Insights of Cocculin
The XLogP value of -0.9292 indicates that Cocculin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting Cocculin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cocculin has 3 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 Cocculin?
The CAS number of Cocculin is 1217775-72-8.
What is the molecular formula of Cocculin?
The molecular formula of Cocculin is C30H34O13.
What is the molecular weight of Cocculin?
The molecular weight of Cocculin is 602.19995 g/mol.
Where can I buy Cocculin?
You can request a quote for Cocculin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cocculin?
Yes, CoreyChem provides custom synthesis services for Cocculin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.