![9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate structure](/static/products/5231/5231-66-3.webp)
9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate
TL;DR: 9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate (CAS 5231-66-3) is a chemical compound with molecular formula C22H30O7 and molecular weight 406.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9-acetyloxy-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 2-methylbutanoate
Also Known As: 9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate, (9-acetyloxy-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 2-methylbutanoate
| Molecular Formula | C22H30O7 |
|---|---|
| Molecular Weight | 406.20 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.19916 |
| Heavy Atoms | 29 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 5231-66-3 |
|---|---|
| SMILES | CCC(C)C(=O)OC1C2C(C=C(C(CC=C(C1O)C)OC(=O)C)C)OC(=O)C2=C |
| InChIKey | WXSBTNFRBWYCJY-UHFFFAOYSA-N |
Product Overview
9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate (CAS 5231-66-3), with molecular formula C22H30O7 and molecular weight 406.20 g/mol. IUPAC: (9-acetyloxy-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 2-methylbutanoate.
Chemical Property Profile of 9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate
Property Insights of 9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate. Following Lipinski's Rule of Five, 9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate 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 9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate?
The CAS number of 9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate is 5231-66-3.
What is the molecular formula of 9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate?
The molecular formula of 9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate is C22H30O7.
What is the molecular weight of 9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate?
The molecular weight of 9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate is 406.20 g/mol.
Where can I buy 9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate?
You can request a quote for 9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 9-(Acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.