Solstitialin A 13-acetate
TL;DR: Solstitialin A 13-acetate (CAS 24470-33-5) is a chemical compound with molecular formula C17H22O6 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,3aR,6aR,8S,9aR,9bR)-3,8-dihydroxy-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3-yl]methyl acetate
Also Known As: Solstitialin A 13-acetate, Acetylsolstitalin, 13-Acetylsolstitialin, Solstitialin 13-acetate, 13-Acetyl solstitialin A
| Molecular Formula | C17H22O6 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.14163 |
| Heavy Atoms | 23 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 24470-33-5 |
|---|---|
| SMILES | CC(=O)OC[C@@]1([C@@H]2CCC(=C)[C@@H]3C[C@@H](C(=C)[C@@H]3[C@H]2OC1=O)O)O |
| InChIKey | XIVYFPUTCCJWCJ-ODIPTECFSA-N |
Product Overview
Solstitialin A 13-acetate (CAS 24470-33-5), with molecular formula C17H22O6 and molecular weight 322.14 g/mol. IUPAC: [(3R,3aR,6aR,8S,9aR,9bR)-3,8-dihydroxy-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3-yl]methyl acetate.
Chemical Property Profile of Solstitialin A 13-acetate
Property Insights of Solstitialin A 13-acetate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Solstitialin A 13-acetate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Solstitialin A 13-acetate. Following Lipinski's Rule of Five, Solstitialin A 13-acetate has 2 hydrogen bond donor(s) and 6 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 Solstitialin A 13-acetate?
The CAS number of Solstitialin A 13-acetate is 24470-33-5.
What is the molecular formula of Solstitialin A 13-acetate?
The molecular formula of Solstitialin A 13-acetate is C17H22O6.
What is the molecular weight of Solstitialin A 13-acetate?
The molecular weight of Solstitialin A 13-acetate is 322.14 g/mol.
Where can I buy Solstitialin A 13-acetate?
You can request a quote for Solstitialin A 13-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Solstitialin A 13-acetate?
Yes, KEHONG BIO provides custom synthesis services for Solstitialin A 13-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.