Deacetyllyoniol A acetonide
TL;DR: Deacetyllyoniol A acetonide (CAS 28836-76-2) is a chemical compound with molecular formula C23H36O6 and molecular weight 408.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,6R,7R,9R,11S,12S,13R,14R,17S,18R)-4,4,8,8,13,18-hexamethyl-3,5,10-trioxahexacyclo[15.2.1.01,14.02,6.07,12.09,11]icosane-7,13,18-triol
Also Known As: Deacetyllyoniol A acetonide, Grayanotoxane-5,6,7,10,16-pentol, 2,3-epoxy-, cyclic 6,7-(1-methylethylidene acetal), (2S,6R,7R,9R,11S,12S,13R,14R,17S,18R)-4,4,8,8,13,18-hexamethyl-3,5,10-trioxahexacyclo[15.2.1.01,14.02,6.07,12.09,11]icosane-7,13,18-triol, 3b-beta,6-Methano-36H-oxireno(3',4')cyclopenta(1',2':3,4)heptaleno(1,2-d)-1,3-dioxole-5,9,11a-alpha(4H)-triol, 3a-alpha,5,6-alpha,7,8,8a-alpha,9,9a-alpha,9b-beta,10a-beta,11,11b-beta-dodecahydro-2,2,5-alpha,9-alpha,11,11-hexamethyl-, (3aS,5R,6S,8aR,9R,9aS,9bS,10aR,11aR,11bR)-2,2,5,9,11,11-Hexamethyldodecahydro-2H-3b,6-methanooxireno[3',4']cyclopenta[1',2':3,4]heptaleno[1,2-d][1,3]dioxole-5,9,11a(4H)-triol
| Molecular Formula | C23H36O6 |
|---|---|
| Molecular Weight | 408.25 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 408.2512 |
| Heavy Atoms | 29 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 28836-76-2 |
|---|---|
| SMILES | C[C@]1(CC23C[C@@H]1CC[C@H]2[C@@]([C@@H]4[C@H]5[C@H](O5)C([C@]4([C@H]6[C@H]3OC(O6)(C)C)O)(C)C)(C)O)O |
| InChIKey | HPQFYQHUOHFCQY-UKCOSPBMSA-N |
Product Overview
Deacetyllyoniol A acetonide (CAS 28836-76-2), with molecular formula C23H36O6 and molecular weight 408.25 g/mol. IUPAC: (2S,6R,7R,9R,11S,12S,13R,14R,17S,18R)-4,4,8,8,13,18-hexamethyl-3,5,10-trioxahexacyclo[15.2.1.01,14.02,6.07,12.09,11]icosane-7,13,18-triol.
Chemical Property Profile of Deacetyllyoniol A acetonide
Property Insights of Deacetyllyoniol A acetonide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deacetyllyoniol A acetonide. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Deacetyllyoniol A acetonide. Following Lipinski's Rule of Five, Deacetyllyoniol A acetonide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deacetyllyoniol A acetonide?
The CAS number of Deacetyllyoniol A acetonide is 28836-76-2.
What is the molecular formula of Deacetyllyoniol A acetonide?
The molecular formula of Deacetyllyoniol A acetonide is C23H36O6.
What is the molecular weight of Deacetyllyoniol A acetonide?
The molecular weight of Deacetyllyoniol A acetonide is 408.25 g/mol.
Where can I buy Deacetyllyoniol A acetonide?
You can request a quote for Deacetyllyoniol A acetonide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deacetyllyoniol A acetonide?
Yes, KEHONG BIO provides custom synthesis services for Deacetyllyoniol A acetonide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.