Ligustrin A
TL;DR: Ligustrin A (CAS 83145-46-4) is a chemical compound with molecular formula C83H146O10 and molecular weight 1303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4R,5S)-4,5-di(hexadecanoyloxy)-3-hydroxyoxan-2-yl] (4aS,6aS,6aS,6bR,10R,12aR,14bR)-10-hexadecanoyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Ligustrin A, Syringin, [(2S,3R,4R,5S)-4,5-di(hexadecanoyloxy)-3-hydroxyoxan-2-yl] (4aS,6aS,6aS,6bR,10R,12aR,14bR)-10-hexadecanoyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate, Olean-12-en-28-oic acid, 3-((1-oxohexadecyl)oxy)-,3,4-bis-O-(1-oxohexadecyl)-R-L-arabinopyranosyl ester,(3alpha)-
| Molecular Formula | C83H146O10 |
|---|---|
| Molecular Weight | 1303.09 g/mol |
| LogP | 29.5 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 51 |
| Exact Mass | 1303.0916 |
| Heavy Atoms | 93 |
| Complexity | 2180.0 |
Chemical Identifiers
| CAS Number | 83145-46-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@@]2([C@@H]3CC=C4[C@H]5CC(CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@H](CO6)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)O)(C)C)C |
| InChIKey | VXOAPJVJWUAJCE-WECDMNCBSA-N |
Product Overview
Ligustrin A (CAS 83145-46-4), with molecular formula C83H146O10 and molecular weight 1303.09 g/mol. IUPAC: [(2S,3R,4R,5S)-4,5-di(hexadecanoyloxy)-3-hydroxyoxan-2-yl] (4aS,6aS,6aS,6bR,10R,12aR,14bR)-10-hexadecanoyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of Ligustrin A
Property Insights of Ligustrin A
The XLogP value of 29.5 indicates that Ligustrin A 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 Ligustrin A. Following Lipinski's Rule of Five, Ligustrin 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 Ligustrin A?
The CAS number of Ligustrin A is 83145-46-4.
What is the molecular formula of Ligustrin A?
The molecular formula of Ligustrin A is C83H146O10.
What is the molecular weight of Ligustrin A?
The molecular weight of Ligustrin A is 1303.09 g/mol.
Where can I buy Ligustrin A?
You can request a quote for Ligustrin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ligustrin A?
Yes, KEHONG BIO provides custom synthesis services for Ligustrin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.