Bruceoside C
TL;DR: Bruceoside C (CAS 141271-79-6) is a chemical compound with molecular formula C32H42O16 and molecular weight 682.2473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1R,2R,6S,7R,8R,13R,14R,15R,16S)-15,16-dihydroxy-9,13-dimethyl-7-(3-methylbut-2-enoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Also Known As: Bruceoside C, Bruceoside-C, methyl (1R,2R,6S,7R,8R,13R,14R,15R,16S)-15,16-dihydroxy-9,13-dimethyl-7-(3-methylbut-2-enoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate, Picras-3-en-21-oic acid, 13,20-epoxy-3-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxo-, methyl ester, (6alpha,11beta,12alpha)-, Methyl (13xi)-3-(beta-D-glucopyranosyloxy)-11beta,12alpha-dihydroxy-6alpha-[(3-methylbut-2-enoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
Technical Specifications
| Molecular Formula | C32H42O16 |
| Molecular Weight | 682.2473 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 245.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 682.2473 Da |
| Heavy Atoms | 48 |
| Complexity | 1450.0 |
| SMILES | CC1=C(C(=O)C[C@]2([C@H]1[C@H]([C@@H]3[C@]45[C@@H]2[C@H]([C@@H](C([C@@H]4CC(=O)O3)(OC5)C(=O)OC)O)O)OC(=O)C=C(C)C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
| InChIKey | ASOOSZCOBHWYHJ-VRLQPTCESA-N |
Chemical Property Profile of Bruceoside C
Property Insights of Bruceoside C
The XLogP value of -1.1 indicates that Bruceoside C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 245.0 Ų indicates high polarity, suggesting Bruceoside C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bruceoside C has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bruceoside C?
The CAS number of Bruceoside C is 141271-79-6.
What is the molecular formula of Bruceoside C?
The molecular formula of Bruceoside C is C32H42O16.
What is the molecular weight of Bruceoside C?
The molecular weight of Bruceoside C is 682.2473 g/mol.
Where can I buy Bruceoside C?
You can request a quote for Bruceoside C directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bruceoside C?
Yes, CoreyChem provides custom synthesis services for Bruceoside C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.