![Bruceine A [M+H]+ structure](/static/products/149/14908-00-0.png)
Bruceine A [M+H]+
TL;DR: Bruceine A [M+H]+ (CAS 14908-00-0) is a chemical compound with molecular formula C26H34O11 and molecular weight 522.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Also Known As: Bruceine A, Isobruceine A, BRUCEIN A, Bruceine A [M+H]+, methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0^{1,6.0^{2,17.0^{8,13]nonadec-9-ene-17-carboxylate
| Molecular Formula | C26H34O11 |
|---|---|
| Molecular Weight | 522.21 g/mol |
| LogP | 0.5969 |
| Topological Polar Surface Area | 165.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 522.2101 |
| Heavy Atoms | 37 |
| Complexity | 1096.081 |
Chemical Identifiers
| CAS Number | 14908-00-0 |
|---|---|
| SMILES | CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)O |
Product Overview
Bruceine A [M+H]+ (CAS 14908-00-0), with molecular formula C26H34O11 and molecular weight 522.21 g/mol. IUPAC: methyl 10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate.
Chemical Property Profile of Bruceine A [M+H]+
Property Insights of Bruceine A [M+H]+
The XLogP value of 0.5969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bruceine A [M+H]+. The TPSA of 165.89 Ų indicates high polarity, suggesting Bruceine A [M+H]+ may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bruceine A [M+H]+ has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bruceine A [M+H]+?
The CAS number of Bruceine A [M+H]+ is 14908-00-0.
What is the molecular formula of Bruceine A [M+H]+?
The molecular formula of Bruceine A [M+H]+ is C26H34O11.
What is the molecular weight of Bruceine A [M+H]+?
The molecular weight of Bruceine A [M+H]+ is 522.21 g/mol.
Where can I buy Bruceine A [M+H]+?
You can request a quote for Bruceine A [M+H]+ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bruceine A [M+H]+?
Yes, KEHONG BIO provides custom synthesis services for Bruceine A [M+H]+ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.