Bruceantinoside C
TL;DR: Bruceantinoside C (CAS 112899-35-1) is a chemical compound with molecular formula C36H48O18 and molecular weight 768.28406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,12-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate
Also Known As: Bruceantinoside C, Methyl 3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,12-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate, Picras-2-en-21-oic acid, 15-((4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-2-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-1,16-dioxo-, methyl ester, (11beta,12alpha,15beta(E))-
Technical Specifications
| Molecular Formula | C36H48O18 |
| Molecular Weight | 768.28406 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 271.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 768.28406 Da |
| Heavy Atoms | 54 |
| Complexity | 1650.0 |
| SMILES | CC1C=C(C(=O)C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)/C=C(\C)/C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O |
| InChIKey | XJIAVYYCXSQJAZ-NTEUORMPSA-N |
Product Description
Applications: Bruceantinoside C is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Bruceantinoside C (CAS 112899-35-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Bruceantinoside C is a fine chemical identified by CAS number 112899-35-1 and the molecular formula C36H48O18 and a molecular weight of 768.28 g/mol. It is also known as Bruceantinoside C and Methyl 3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,12-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Bruceantinoside C
Property Insights of Bruceantinoside C
The XLogP value of -0.1 indicates that Bruceantinoside C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 271.0 Ų indicates high polarity, suggesting Bruceantinoside C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bruceantinoside C has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bruceantinoside C?
The CAS number of Bruceantinoside C is 112899-35-1.
What is the molecular formula of Bruceantinoside C?
The molecular formula of Bruceantinoside C is C36H48O18.
What is the molecular weight of Bruceantinoside C?
The molecular weight of Bruceantinoside C is 768.28406 g/mol.
What are the applications of Bruceantinoside C?
Bruceantinoside C is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Bruceantinoside C (CAS 112899-35-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy Bruceantinoside C?
You can request a quote for Bruceantinoside C directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bruceantinoside C?
Yes, CoreyChem provides custom synthesis services for Bruceantinoside C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.