Roxburic acid
TL;DR: Roxburic acid (CAS 108657-25-6) is a chemical compound with molecular formula C30H48O6 and molecular weight 504.3451 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2R,4aS,6aR,6aR,6bR,7S,10S,11R,12aS,14bR)-1,7,10,11-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Roxburic acid, 2,3,7,19-Tetrahydroxyurs-12-en-28-oic acid, (1R,2R,4aS,6aR,6aR,6bR,7S,10S,11R,12aS,14bR)-1,7,10,11-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, Urs-12-en-28-oic acid, 2,3,7,19-tetrahydroxy-, (2beta,3alpha,7beta)-, (5xi)-2alpha,3alpha,7beta,19-Tetrahydroxy-18alpha-urs-12-en-28-oic acid
Technical Specifications
| Molecular Formula | C30H48O6 |
| Molecular Weight | 504.3451 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 504.3451 Da |
| Heavy Atoms | 36 |
| Complexity | 990.0 |
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3([C@H](CC5[C@@]4(C[C@H]([C@H](C5(C)C)O)O)C)O)C)[C@H]2[C@]1(C)O)C)C(=O)O |
| InChIKey | OTMKLLGULDKXFS-DSZNRGTLSA-N |
Chemical Property Profile of Roxburic acid
Property Insights of Roxburic acid
The XLogP value of 3.6 indicates that Roxburic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Roxburic acid. Following Lipinski's Rule of Five, Roxburic acid has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Roxburic acid?
The CAS number of Roxburic acid is 108657-25-6.
What is the molecular formula of Roxburic acid?
The molecular formula of Roxburic acid is C30H48O6.
What is the molecular weight of Roxburic acid?
The molecular weight of Roxburic acid is 504.3451 g/mol.
Where can I buy Roxburic acid?
You can request a quote for Roxburic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Roxburic acid?
Yes, CoreyChem provides custom synthesis services for Roxburic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.