Celangulin V
TL;DR: Celangulin V (CAS 139979-81-0) is a chemical compound with molecular formula C34H46O13 and molecular weight 662.2938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,4S,5R,6S,7S,8S,9S,12R)-4,5-diacetyloxy-2,12-dihydroxy-2,10,10-trimethyl-8-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
Also Known As: Celangulin V, Angulatin A, (3S,4S,5S,5aS,6R,7S,9S,10R)-6,7-Bis(acetyloxy)-9,10-dihydroxy-2,2,9-trimethyl-4-[(2-methylpropanoyl)oxy]-5a-{[(2-methylpropanoyl)oxy]methyl}octahydro-2H-3,9a-methano-1-benzoxepin-5-yl benzoate, 6,7-Bis(acetyloxy)-9,10-dihydroxy-2,2,9-trimethyl-4-[(2-methylpropanoyl)oxy]-5a-{[(2-methylpropanoyl)oxy]methyl}octahydro-2H-3,9a-methano-1-benzoxepin-5-yl benzoate, G88904
Technical Specifications
| Molecular Formula | C34H46O13 |
| Molecular Weight | 662.2938 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 662.2938 Da |
| Heavy Atoms | 47 |
| Complexity | 1240.0 |
| SMILES | CC(C)C(=O)OC[C@@]12[C@H]([C@H](C[C@](C13[C@@H]([C@@H]([C@@H]([C@H]2OC(=O)C4=CC=CC=C4)OC(=O)C(C)C)C(O3)(C)C)O)(C)O)OC(=O)C)OC(=O)C |
| InChIKey | HAHJPPZGVANYSD-CHDNDZPOSA-N |
Chemical Property Profile of Celangulin V
Property Insights of Celangulin V
The XLogP value of 3.0 indicates that Celangulin V is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting Celangulin V may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Celangulin V has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Celangulin V?
The CAS number of Celangulin V is 139979-81-0.
What is the molecular formula of Celangulin V?
The molecular formula of Celangulin V is C34H46O13.
What is the molecular weight of Celangulin V?
The molecular weight of Celangulin V is 662.2938 g/mol.
Where can I buy Celangulin V?
You can request a quote for Celangulin V directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Celangulin V?
Yes, CoreyChem provides custom synthesis services for Celangulin V and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.