(3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid
TL;DR: (3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid (CAS 545-88-0) is a chemical compound with molecular formula C30H48O4 and molecular weight 472.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Cochalic acid, Cochalsaeure, 16-Epiechinocystic acid, 16-epi-Echinocystic acid, 3beta,16beta-dihydroxyolean-12-en-28-oic acid
| Molecular Formula | C30H48O4 |
|---|---|
| Molecular Weight | 472.36 g/mol |
| LogP | 6.2044 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 472.35526 |
| Heavy Atoms | 34 |
| Complexity | 918.7661 |
Chemical Identifiers
| CAS Number | 545-88-0 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O |
Product Overview
(3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid (CAS 545-88-0), with molecular formula C30H48O4 and molecular weight 472.36 g/mol. IUPAC: (4aR,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of (3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid
Property Insights of (3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid
The XLogP value of 6.2044 indicates that (3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid. Following Lipinski's Rule of Five, (3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid?
The CAS number of (3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid is 545-88-0.
What is the molecular formula of (3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid?
The molecular formula of (3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid is C30H48O4.
What is the molecular weight of (3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid?
The molecular weight of (3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid is 472.36 g/mol.
Where can I buy (3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid?
You can request a quote for (3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid?
Yes, KEHONG BIO provides custom synthesis services for (3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.