beta-Liriodenolide
TL;DR: beta-Liriodenolide (CAS 69845-02-9) is a chemical compound with molecular formula C17H22O5 and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] acetate
Also Known As: beta-Liriodenolide, Naphtho(1,2-b)furan-2(3H)-one, 4-(acetyloxy)decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-, (3aR,4R,5aR,6R,9aS,9bR)-, Naphtho[1,2-b]furan-2(3H)-one,4-(acetyloxy)decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-,(3ar,4r,5ar,6r,9as,9br)-, 6-Hydroxy-5a-methyl-3,9-dimethylidene-2-oxododecahydronaphtho[1,2-b]furan-4-yl acetate, (3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxododecahydronaphtho[1,2-b]furan-4-yl acetate
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.14673 |
| Heavy Atoms | 22 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 69845-02-9 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@]2([C@@H](CCC(=C)[C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)O)C |
| InChIKey | REKMRDLPINOZME-MMCSFCSJSA-N |
Product Overview
beta-Liriodenolide (CAS 69845-02-9), with molecular formula C17H22O5 and molecular weight 306.15 g/mol. IUPAC: [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] acetate.
Chemical Property Profile of beta-Liriodenolide
Property Insights of beta-Liriodenolide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Liriodenolide. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Liriodenolide. Following Lipinski's Rule of Five, beta-Liriodenolide has 1 hydrogen bond donor(s) and 5 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 beta-Liriodenolide?
The CAS number of beta-Liriodenolide is 69845-02-9.
What is the molecular formula of beta-Liriodenolide?
The molecular formula of beta-Liriodenolide is C17H22O5.
What is the molecular weight of beta-Liriodenolide?
The molecular weight of beta-Liriodenolide is 306.15 g/mol.
Where can I buy beta-Liriodenolide?
You can request a quote for beta-Liriodenolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Liriodenolide?
Yes, KEHONG BIO provides custom synthesis services for beta-Liriodenolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.