Taccalonolide A
TL;DR: Taccalonolide A (CAS 108885-68-3) is a chemical compound with molecular formula C36H46O14 and molecular weight 702.28876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2S,3R,5S,7S,9S,10R,11R,12S,13S,14R,15R,16S,17S,22S,23S,24R,25R)-10,14,25-triacetyloxy-3,22-dihydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.02,12.05,11.07,9.016,24.019,23]pentacos-18-en-13-yl] acetate
Also Known As: Taccalonolide A, TaccalonolideA, Potato ketolide A, HY-N2416, [(1S,2S,3R,5S,7S,9S,10R,11R,12S,13S,14R,15R,16S,17S,22S,23S,24R,25R)-10,14,25-triacetyloxy-3,22-dihydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.02,12.05,11.07,9.016,24.019,23]pentacos-18-en-13-yl] acetate
Technical Specifications
| Molecular Formula | C36H46O14 |
| Molecular Weight | 702.28876 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 202.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 702.28876 Da |
| Heavy Atoms | 50 |
| Complexity | 1620.0 |
| SMILES | C[C@@H]1C=C2[C@@]([C@H]3[C@H]1[C@@]4([C@@H]([C@H]3OC(=O)C)[C@H]5[C@H]([C@@H]([C@@H]4OC(=O)C)OC(=O)C)[C@@]6([C@H](C[C@H]7[C@@H]([C@@H]6OC(=O)C)O7)C(=O)[C@@H]5O)C)C)([C@](C(=O)O2)(C)O)C |
| InChIKey | PTTJLTMUKRRHAT-VJAKQJMOSA-N |
Chemical Property Profile of Taccalonolide A
Property Insights of Taccalonolide A
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Taccalonolide A. The TPSA of 202.0 Ų indicates high polarity, suggesting Taccalonolide A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taccalonolide A has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Taccalonolide A?
The CAS number of Taccalonolide A is 108885-68-3.
What is the molecular formula of Taccalonolide A?
The molecular formula of Taccalonolide A is C36H46O14.
What is the molecular weight of Taccalonolide A?
The molecular weight of Taccalonolide A is 702.28876 g/mol.
Where can I buy Taccalonolide A?
You can request a quote for Taccalonolide A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Taccalonolide A?
Yes, CoreyChem provides custom synthesis services for Taccalonolide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.