Eupacunin
TL;DR: Eupacunin (CAS 33854-15-8) is a chemical compound with molecular formula C22H28O7 and molecular weight 404.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aS,4R,5Z,7S,9S,10Z,11aR)-9-acetyloxy-7-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
Also Known As: Eupacunin, [(3aS,4R,5Z,7S,9S,10Z,11aR)-9-acetyloxy-7-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate, ((3aS,4R,5Z,7S,9S,10Z,11aR)-9-acetoxy-7-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca(b)furan-4-yl) (Z)-2-methylbut-2-enoate, ((3aS,4R,5Z,7S,9S,10Z,11aR)-9-acetyloxy-7-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca(b)furan-4-yl) (Z)-2-methylbut-2-enoate, (2R,3R)-2,3-Dimethyl-2-oxiranecarboxylic acid [(3aS,4R,5Z,7S,9S,10Z,11aR)-9-acetoxy-2,3,3a,4,7,8,9,11a-octahydro-7-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl] ester
| Molecular Formula | C22H28O7 |
|---|---|
| Molecular Weight | 404.18 g/mol |
| LogP | 2.5511 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.1835 |
| Heavy Atoms | 29 |
| Complexity | 801.9784 |
Chemical Identifiers
| CAS Number | 33854-15-8 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@@H]1/C=C(\[C@H](C[C@@H](/C(=C\[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)OC(=O)C)O)/C |
Product Overview
Eupacunin (CAS 33854-15-8), with molecular formula C22H28O7 and molecular weight 404.18 g/mol. IUPAC: [(3aS,4R,5Z,7S,9S,10Z,11aR)-9-acetyloxy-7-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of Eupacunin
Property Insights of Eupacunin
The XLogP value of 2.5511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Eupacunin. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Eupacunin. Following Lipinski's Rule of Five, Eupacunin has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Eupacunin?
The CAS number of Eupacunin is 33854-15-8.
What is the molecular formula of Eupacunin?
The molecular formula of Eupacunin is C22H28O7.
What is the molecular weight of Eupacunin?
The molecular weight of Eupacunin is 404.18 g/mol.
Where can I buy Eupacunin?
You can request a quote for Eupacunin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eupacunin?
Yes, KEHONG BIO provides custom synthesis services for Eupacunin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.