Aspecioside
TL;DR: Aspecioside (CAS 101915-75-7) is a chemical compound with molecular formula C29H42O10 and molecular weight 550.2778 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(1R,3S,5R,7S,10S,11R,13R,14S,15R,18R)-13,18-dihydroxy-10,14-dimethyl-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one
Also Known As: Aspecioside, 2-oxobicyclo<2.2.1>hept-5-ene-7-anti-carboxylic acid, 3-[(1R,3S,5R,7S,10S,11R,13R,14S,15R,18R)-13,18-dihydroxy-10,14-dimethyl-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one, (3S,5S,8R,9S,10S,12R,13S,14S,17R)-5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde, 3beta-[(6-Deoxy-beta-D-allopyranosyl)oxy]-12beta,14-dihydroxy-5alpha,7beta-7,8-epoxycard-20(22)-enolide
Technical Specifications
| Molecular Formula | C29H42O10 |
| Molecular Weight | 550.2778 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 550.2778 Da |
| Heavy Atoms | 39 |
| Complexity | 1080.0 |
| SMILES | C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H](C2)C[C@H]4[C@@]5([C@@H]3C[C@H]([C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)O4)C)O)O)O |
| InChIKey | BEDAFJYDKDOALK-FHLCUQDTSA-N |
Chemical Property Profile of Aspecioside
Property Insights of Aspecioside
The XLogP value of -0.3 indicates that Aspecioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting Aspecioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aspecioside has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Aspecioside?
The CAS number of Aspecioside is 101915-75-7.
What is the molecular formula of Aspecioside?
The molecular formula of Aspecioside is C29H42O10.
What is the molecular weight of Aspecioside?
The molecular weight of Aspecioside is 550.2778 g/mol.
Where can I buy Aspecioside?
You can request a quote for Aspecioside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aspecioside?
Yes, CoreyChem provides custom synthesis services for Aspecioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.