13-Hydroxyballonigrinolide
TL;DR: 13-Hydroxyballonigrinolide (CAS 71135-32-5) is a chemical compound with molecular formula C20H26O6 and molecular weight 362.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4S,8S,12R)-9-[2-(3-hydroxy-5-oxooxolan-3-yl)ethyl]-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-9-ene-3,11-dione
Also Known As: 13-Hydroxyballonigrinolide, 2H-Naphtho(1,8-bc)furan-2,8(2aH)-dione, 3,4,5,5a,8a,8b-hexahydro-2a,5a,7-trimethyl-6-(2-(tetrahydro-3-hydroxy-5-oxo-3-furanyl)ethyl)-, (2aS-(2aalpha,5abeta,8aalpha,8balpha))-(partial)-, (1S,4S,8S,12R)-9-[2-(3-hydroxy-5-oxooxolan-3-yl)ethyl]-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-9-ene-3,11-dione, (1S,4S,8S,12R)-9-(2-(3-hydroxy-5-oxooxolan-3-yl)ethyl)-4,8,10-trimethyl-2-oxatricyclo(6.3.1.04,12)dodec-9-ene-3,11-dione, (2aS)-3,4,5,5a,8aalpha,8balpha-Hexahydro-2aalpha,5abeta,7-trimethyl-6-[2-[(tetrahydro-3-hydroxy-5-oxofuran)-3-yl]ethyl]-2H-naphtho[1,8-bc]furan-2,8(2aH)-dione
| Molecular Formula | C20H26O6 |
|---|---|
| Molecular Weight | 362.17 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.17294 |
| Heavy Atoms | 26 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 71135-32-5 |
|---|---|
| SMILES | CC1=C([C@]2(CCC[C@]3([C@@H]2[C@@H](C1=O)OC3=O)C)C)CCC4(CC(=O)OC4)O |
| InChIKey | JRBMIKVAUKDRCI-NNFYAJEDSA-N |
Product Overview
13-Hydroxyballonigrinolide (CAS 71135-32-5), with molecular formula C20H26O6 and molecular weight 362.17 g/mol. IUPAC: (1S,4S,8S,12R)-9-[2-(3-hydroxy-5-oxooxolan-3-yl)ethyl]-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-9-ene-3,11-dione.
Chemical Property Profile of 13-Hydroxyballonigrinolide
Property Insights of 13-Hydroxyballonigrinolide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-Hydroxyballonigrinolide. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 13-Hydroxyballonigrinolide. Following Lipinski's Rule of Five, 13-Hydroxyballonigrinolide has 1 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 13-Hydroxyballonigrinolide?
The CAS number of 13-Hydroxyballonigrinolide is 71135-32-5.
What is the molecular formula of 13-Hydroxyballonigrinolide?
The molecular formula of 13-Hydroxyballonigrinolide is C20H26O6.
What is the molecular weight of 13-Hydroxyballonigrinolide?
The molecular weight of 13-Hydroxyballonigrinolide is 362.17 g/mol.
Where can I buy 13-Hydroxyballonigrinolide?
You can request a quote for 13-Hydroxyballonigrinolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Hydroxyballonigrinolide?
Yes, KEHONG BIO provides custom synthesis services for 13-Hydroxyballonigrinolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.