Euphornin
TL;DR: Euphornin (CAS 80454-47-3) is a chemical compound with molecular formula C33H44O9 and molecular weight 584.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3aR,4S,5S,9R,11R,13aS)-4,9,11-triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
Also Known As: Euphornin, [(1R,2S,3S,4Z,7R,9R,10Z,12S,13S,14S)-2,7,9-triacetyloxy-1-hydroxy-3,6,6,10,14-pentamethyl-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate
| Molecular Formula | C33H44O9 |
|---|---|
| Molecular Weight | 584.30 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 584.2985 |
| Heavy Atoms | 42 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 80454-47-3 |
|---|---|
| SMILES | C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)C=C([C@@H](C[C@H](C(C=C[C@@H]([C@@H]2OC(=O)C)C)(C)C)OC(=O)C)OC(=O)C)C)O |
| InChIKey | BRVXVMOWTHQKHC-UMYGIUPDSA-N |
Product Overview
Euphornin (CAS 80454-47-3), with molecular formula C33H44O9 and molecular weight 584.30 g/mol. IUPAC: [(1S,2S,3aR,4S,5S,9R,11R,13aS)-4,9,11-triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate.
Chemical Property Profile of Euphornin
Property Insights of Euphornin
The XLogP value of 5.1 indicates that Euphornin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Euphornin. Following Lipinski's Rule of Five, Euphornin has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Euphornin?
The CAS number of Euphornin is 80454-47-3.
What is the molecular formula of Euphornin?
The molecular formula of Euphornin is C33H44O9.
What is the molecular weight of Euphornin?
The molecular weight of Euphornin is 584.30 g/mol.
Where can I buy Euphornin?
You can request a quote for Euphornin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Euphornin?
Yes, KEHONG BIO provides custom synthesis services for Euphornin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.