Jaligonic acid
TL;DR: Jaligonic acid (CAS 51776-39-7) is a chemical compound with molecular formula C30H46O7 and molecular weight 518.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
Also Known As: Jaligonic acid, Phytolaccatoxin, Jagilonic acid, KST-1A5384, (2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
| Molecular Formula | C30H46O7 |
|---|---|
| Molecular Weight | 518.32 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 518.32434 |
| Heavy Atoms | 37 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 51776-39-7 |
|---|---|
| SMILES | C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)O |
| InChIKey | OWODMVTTWPVWQA-COFJZONBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Jaligonic acid (CAS 51776-39-7), with molecular formula C30H46O7 and molecular weight 518.32 g/mol. IUPAC: (2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid.
Chemical Property Profile of Jaligonic acid
Property Insights of Jaligonic acid
The XLogP value of 4.2 indicates that Jaligonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Jaligonic acid. Following Lipinski's Rule of Five, Jaligonic acid has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Jaligonic acid?
The CAS number of Jaligonic acid is 51776-39-7.
What is the molecular formula of Jaligonic acid?
The molecular formula of Jaligonic acid is C30H46O7.
What is the molecular weight of Jaligonic acid?
The molecular weight of Jaligonic acid is 518.32 g/mol.
Where can I buy Jaligonic acid?
You can request a quote for Jaligonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Jaligonic acid?
Yes, KEHONG BIO provides custom synthesis services for Jaligonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.