Decoside
TL;DR: Decoside (CAS 111508-63-5) is a chemical compound with molecular formula C30H42O9 and molecular weight 546.2829 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3S,5R,8R,10S,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Decoside, Decogenin 3-O-alpha-L-oleandroside, J2.767.229I, 3-[(3S,5R,8R,10S,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 3-((3S,5R,8R,10S,13R,14S,17R)-11,14-dihydroxy-3-((2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-17-yl)-2H-furan-5-one
Technical Specifications
| Molecular Formula | C30H42O9 |
| Molecular Weight | 546.2829 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 546.2829 Da |
| Heavy Atoms | 39 |
| Complexity | 1110.0 |
| SMILES | C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4C3=C(C(=O)[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)OC)O |
| InChIKey | QKBSRWIVHXFMNA-OEKLXEDWSA-N |
Chemical Property Profile of Decoside
Property Insights of Decoside
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Decoside. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Decoside. Following Lipinski's Rule of Five, Decoside has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Decoside?
The CAS number of Decoside is 111508-63-5.
What is the molecular formula of Decoside?
The molecular formula of Decoside is C30H42O9.
What is the molecular weight of Decoside?
The molecular weight of Decoside is 546.2829 g/mol.
Where can I buy Decoside?
You can request a quote for Decoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Decoside?
Yes, CoreyChem provides custom synthesis services for Decoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.