Taccalonolide A
TL;DR: Taccalonolide A (CAS 108885-68-3) is a chemical compound with molecular formula C36H46O14 and molecular weight 702.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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
| Molecular Formula | C36H46O14 |
|---|---|
| Molecular Weight | 702.29 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 702.28876 |
| Heavy Atoms | 50 |
| Complexity | 1620.0 |
Chemical Identifiers
| CAS Number | 108885-68-3 |
|---|---|
| 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 |
Product Overview
Taccalonolide A (CAS 108885-68-3), with molecular formula C36H46O14 and molecular weight 702.29 g/mol. IUPAC: [(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.
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
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 702.29 g/mol.
Where can I buy Taccalonolide A?
You can request a quote for Taccalonolide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taccalonolide A?
Yes, KEHONG BIO provides custom synthesis services for Taccalonolide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.