Shihulimonin A
TL;DR: Shihulimonin A (CAS 99026-99-0) is a chemical compound with molecular formula C26H30O10 and molecular weight 502.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,7S,10R,13R,14R,16S,19R,20S)-19-(2-hydroxy-5-oxo-2H-furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
Also Known As: limonexic acid, Shihulimonin A, Limonexin, (S)-Shihulimonin A, Limonexin; Shihulimonin A
| Molecular Formula | C26H30O10 |
|---|---|
| Molecular Weight | 502.18 g/mol |
| LogP | 0.9733 |
| Topological Polar Surface Area | 137.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 502.1839 |
| Heavy Atoms | 36 |
| Complexity | 1173.2201 |
Chemical Identifiers
| CAS Number | 99026-99-0 |
|---|---|
| SMILES | C[C@@]12CC[C@H]3[C@]([C@@]14[C@H](O4)C(=O)O[C@H]2C5=CC(=O)OC5O)(C(=O)C[C@@H]6[C@@]37COC(=O)C[C@@H]7OC6(C)C)C |
Product Overview
Shihulimonin A (CAS 99026-99-0), with molecular formula C26H30O10 and molecular weight 502.18 g/mol. IUPAC: (1R,2R,7S,10R,13R,14R,16S,19R,20S)-19-(2-hydroxy-5-oxo-2H-furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione.
Chemical Property Profile of Shihulimonin A
Property Insights of Shihulimonin A
The XLogP value of 0.9733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Shihulimonin A. The TPSA of 137.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Shihulimonin A. Following Lipinski's Rule of Five, Shihulimonin A has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Shihulimonin A?
The CAS number of Shihulimonin A is 99026-99-0.
What is the molecular formula of Shihulimonin A?
The molecular formula of Shihulimonin A is C26H30O10.
What is the molecular weight of Shihulimonin A?
The molecular weight of Shihulimonin A is 502.18 g/mol.
Where can I buy Shihulimonin A?
You can request a quote for Shihulimonin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Shihulimonin A?
Yes, KEHONG BIO provides custom synthesis services for Shihulimonin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.