cyclic triterpenoid
TL;DR: cyclic triterpenoid (CAS 125343-12-6) is a chemical compound with molecular formula C42H68O17S and molecular weight 876.4177 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-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-9-(sulfooxymethyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: cyclic triterpenoid, Olean-12-en-28-oic acid,3-hydroxy-23-(sulfooxy), Olean-12-en-28-oic acid, 3-hydroxy-23-(sulfooxy)-,28-(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)ester,(3beta,4alpha)-, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-9-(sulfooxymethyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-te, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-9-(sulfooxymethyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Technical Specifications
| Molecular Formula | C42H68O17S |
| Molecular Weight | 876.4177 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 288.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 876.4177 Da |
| Heavy Atoms | 60 |
| Complexity | 1750.0 |
| SMILES | C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)C)(C)COS(=O)(=O)O)O |
| InChIKey | ISVLTJCZXCCTMI-RTQWZQBFSA-N |
Chemical Property Profile of cyclic triterpenoid
Property Insights of cyclic triterpenoid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cyclic triterpenoid. The TPSA of 288.0 Ų indicates high polarity, suggesting cyclic triterpenoid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, cyclic triterpenoid has 9 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 cyclic triterpenoid?
The CAS number of cyclic triterpenoid is 125343-12-6.
What is the molecular formula of cyclic triterpenoid?
The molecular formula of cyclic triterpenoid is C42H68O17S.
What is the molecular weight of cyclic triterpenoid?
The molecular weight of cyclic triterpenoid is 876.4177 g/mol.
Where can I buy cyclic triterpenoid?
You can request a quote for cyclic triterpenoid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for cyclic triterpenoid?
Yes, CoreyChem provides custom synthesis services for cyclic triterpenoid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.