1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide
TL;DR: 1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide (CAS 108044-19-5) 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.
[(4aS,8R,8aR,9aS)-9a-hydroxy-3,5,8a-trimethyl-2-oxo-4a,7,8,9-tetrahydro-4H-benzo[f][1]benzofuran-8-yl] acetate
Also Known As: 1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide, [(4aS,8R,8aR,9aS)-9a-hydroxy-3,5,8a-trimethyl-2-oxo-4a,7,8,9-tetrahydro-4H-benzo[f][1]benzofuran-8-yl] acetate, Naphtho(2,3-b)furan-2(4H)-one, 8-(acetyloxy)-4a,7,8,8a,9,9a-hexahydro-9a-hydroxy-3,5,8a-trimethyl-, (4aS-(4aalpha,8beta,8abeta,9abeta))-, ((4aS,8R,8aR,9aS)-9a-hydroxy-3,5,8a-trimethyl-2-oxo-4a,7,8,9-tetrahydro-4H-benzo(f)(1)benzofuran-8-yl) acetate, (4aS,8R,8aR,9aS)-9a-Hydroxy-3,5,8a-trimethyl-2-oxo-2,4,4a,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-8-yl acetate
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 1.3 |
| 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 | 617.0 |
Chemical Identifiers
| CAS Number | 108044-19-5 |
|---|---|
| SMILES | CC1=CC[C@H]([C@]2([C@H]1CC3=C(C(=O)O[C@]3(C2)O)C)C)OC(=O)C |
| InChIKey | GGOAIQOGIKLZRJ-JFOHDYCDSA-N |
Product Overview
1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide (CAS 108044-19-5), with molecular formula C17H22O5 and molecular weight 306.15 g/mol. IUPAC: [(4aS,8R,8aR,9aS)-9a-hydroxy-3,5,8a-trimethyl-2-oxo-4a,7,8,9-tetrahydro-4H-benzo[f][1]benzofuran-8-yl] acetate.
Chemical Property Profile of 1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide
Property Insights of 1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide. Following Lipinski's Rule of Five, 1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide 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 1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide?
The CAS number of 1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide is 108044-19-5.
What is the molecular formula of 1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide?
The molecular formula of 1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide is C17H22O5.
What is the molecular weight of 1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide?
The molecular weight of 1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide is 306.15 g/mol.
Where can I buy 1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide?
You can request a quote for 1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide?
Yes, KEHONG BIO provides custom synthesis services for 1beta-Acetoxy-8-hydroxyeudesma-3,7(11)-dien-8,12-olide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.