Bruceine B
TL;DR: Bruceine B (CAS 30831-75-5) is a chemical compound with molecular formula C23H28O11 and molecular weight 480.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-acetyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Also Known As: Bruceine B, BRUCEIN B, HY-N3013, methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-acetyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate, 15beta-Acetoxy-13,20-epoxy-3,11beta,12alpha-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester
| Molecular Formula | C23H28O11 |
|---|---|
| Molecular Weight | 480.16 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.16315 |
| Heavy Atoms | 34 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 30831-75-5 |
|---|---|
| SMILES | CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O |
| InChIKey | YDWODLQEUPYKGJ-LZFWDZGBSA-N |
Product Overview
Bruceine B (CAS 30831-75-5), with molecular formula C23H28O11 and molecular weight 480.16 g/mol. IUPAC: methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-acetyloxy-10,15,16-trihydroxy-9,13-dimethyl-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 B
Property Insights of Bruceine B
The XLogP value of -0.5 indicates that Bruceine B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting Bruceine B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bruceine B 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 B?
The CAS number of Bruceine B is 30831-75-5.
What is the molecular formula of Bruceine B?
The molecular formula of Bruceine B is C23H28O11.
What is the molecular weight of Bruceine B?
The molecular weight of Bruceine B is 480.16 g/mol.
Where can I buy Bruceine B?
You can request a quote for Bruceine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bruceine B?
Yes, KEHONG BIO provides custom synthesis services for Bruceine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.