![(1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid structure](/static/products/825/82508-35-8.png)
(1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid
TL;DR: (1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid (CAS 82508-35-8) is a chemical compound with molecular formula C22H26O8 and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,7S,8S,9R)-7-acetyloxy-9-(4-carboxypenta-1,3-dienyl)-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylic acid
Also Known As: (1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid
| Molecular Formula | C22H26O8 |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.16278 |
| Heavy Atoms | 30 |
| Complexity | 897.0 |
Chemical Identifiers
| CAS Number | 82508-35-8 |
|---|---|
| SMILES | CC(=CC=C[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)O)OC(=O)C)C(=O)O1)C)C(=O)O |
| InChIKey | ZPSQWDVEMDWXPJ-ZJQURUERSA-N |
Product Overview
(1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid (CAS 82508-35-8), with molecular formula C22H26O8 and molecular weight 418.16 g/mol. IUPAC: (1R,7S,8S,9R)-7-acetyloxy-9-(4-carboxypenta-1,3-dienyl)-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylic acid.
Chemical Property Profile of (1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid
Property Insights of (1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid. Following Lipinski's Rule of Five, (1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid has 2 hydrogen bond donor(s) and 8 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 (1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid?
The CAS number of (1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid is 82508-35-8.
What is the molecular formula of (1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid?
The molecular formula of (1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid is C22H26O8.
What is the molecular weight of (1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid?
The molecular weight of (1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid is 418.16 g/mol.
Where can I buy (1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid?
You can request a quote for (1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1R,7S,8S,9R)-7-(acetyloxy)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0(1),?]tridec-3-ene-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.