(+)-Matesaponin 1
TL;DR: (+)-Matesaponin 1 (CAS 126622-38-6) is a chemical compound with molecular formula C47H76O17 and molecular weight 912.50824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
Also Known As: Matesaponin 1, (+)-Matesaponin 1, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
Technical Specifications
| Molecular Formula | C47H76O17 |
| Molecular Weight | 912.50824 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 275.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 912.50824 Da |
| Heavy Atoms | 64 |
| Complexity | 1730.0 |
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)C)C)[C@H]2[C@H]1C)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O |
| InChIKey | CUDUIWIKODVGCF-ZZJSDIKRSA-N |
Chemical Property Profile of (+)-Matesaponin 1
Property Insights of (+)-Matesaponin 1
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Matesaponin 1. The TPSA of 275.0 Ų indicates high polarity, suggesting (+)-Matesaponin 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (+)-Matesaponin 1 has 10 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (+)-Matesaponin 1?
The CAS number of (+)-Matesaponin 1 is 126622-38-6.
What is the molecular formula of (+)-Matesaponin 1?
The molecular formula of (+)-Matesaponin 1 is C47H76O17.
What is the molecular weight of (+)-Matesaponin 1?
The molecular weight of (+)-Matesaponin 1 is 912.50824 g/mol.
Where can I buy (+)-Matesaponin 1?
You can request a quote for (+)-Matesaponin 1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (+)-Matesaponin 1?
Yes, CoreyChem provides custom synthesis services for (+)-Matesaponin 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.