Lantaiursolic acid
TL;DR: Lantaiursolic acid (CAS 1808-07-7) is a chemical compound with molecular formula C35H56O5 and molecular weight 556.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-(3-methylbutanoyloxy)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Lantaiursolic acid, 3-Isovaleroyl-19-hydroxyursolic acid, KST-1A2159, (1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-(3-methylbutanoyloxy)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, (3
| Molecular Formula | C35H56O5 |
|---|---|
| Molecular Weight | 556.41 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 556.4128 |
| Heavy Atoms | 40 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 1808-07-7 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)OC(=O)CC(C)C)C)C)[C@H]2[C@]1(C)O)C)C(=O)O |
| InChIKey | VNSKBPUANWSMPF-NVCZMFLESA-N |
Product Overview
Lantaiursolic acid (CAS 1808-07-7), with molecular formula C35H56O5 and molecular weight 556.41 g/mol. IUPAC: (1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-(3-methylbutanoyloxy)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of Lantaiursolic acid
Property Insights of Lantaiursolic acid
The XLogP value of 7.8 indicates that Lantaiursolic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Lantaiursolic acid. Following Lipinski's Rule of Five, Lantaiursolic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lantaiursolic acid?
The CAS number of Lantaiursolic acid is 1808-07-7.
What is the molecular formula of Lantaiursolic acid?
The molecular formula of Lantaiursolic acid is C35H56O5.
What is the molecular weight of Lantaiursolic acid?
The molecular weight of Lantaiursolic acid is 556.41 g/mol.
Where can I buy Lantaiursolic acid?
You can request a quote for Lantaiursolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lantaiursolic acid?
Yes, KEHONG BIO provides custom synthesis services for Lantaiursolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.