Roxbin B
TL;DR: Roxbin B (CAS 109742-46-3) is a chemical compound with molecular formula C41H28O26 and molecular weight 936.08685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8,9,10,13,14,15,27,28,29,32,33,34-dodecahydroxy-5,18,24,37-tetraoxo-2,4,19,23,38-pentaoxaheptacyclo[20.17.0.03,20.06,11.012,17.025,30.031,36]nonatriaconta-6,8,10,12,14,16,25,27,29,31,33,35-dodecaen-21-yl) 3,4,5-trihydroxybenzoate
Also Known As: Roxbin B, cuspinin, (+/-)-despyrrololysergene, (8,9,10,13,14,15,27,28,29,32,33,34-dodecahydroxy-5,18,24,37-tetraoxo-2,4,19,23,38-pentaoxaheptacyclo[20.17.0.03,20.06,11.012,17.025,30.031,36]nonatriaconta-6,8,10,12,14,16,25,27,29,31,33,35-dodecaen-21-yl) 3,4,5-trihydroxybenzoate, 2,3,4,5,6,7,16,17,18,19,20,21-Dodecahydroxy-9,14,23,27-tetraoxo-9,10a,11a,12,14,23,24a,25,25a,27-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':5,6]pyrano[3,2-b][1,5]dioxacycloundecin-25-yl 3,4,5-trihydroxybenzoate
Technical Specifications
| Molecular Formula | C41H28O26 |
| Molecular Weight | 936.08685 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 444.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 3 |
| Exact Mass | 936.08685 Da |
| Heavy Atoms | 67 |
| Complexity | 1860.0 |
| SMILES | C1C2C(C(C3C(O2)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O |
| InChIKey | ACMCMQPOKYONNT-UHFFFAOYSA-N |
Chemical Property Profile of Roxbin B
Property Insights of Roxbin B
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Roxbin B. The TPSA of 444.0 Ų indicates high polarity, suggesting Roxbin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Roxbin B has 15 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Roxbin B?
The CAS number of Roxbin B is 109742-46-3.
What is the molecular formula of Roxbin B?
The molecular formula of Roxbin B is C41H28O26.
What is the molecular weight of Roxbin B?
The molecular weight of Roxbin B is 936.08685 g/mol.
Where can I buy Roxbin B?
You can request a quote for Roxbin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Roxbin B?
Yes, CoreyChem provides custom synthesis services for Roxbin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.