22-Methoxyolean-13(18)-ene-3,23-diol
TL;DR: 22-Methoxyolean-13(18)-ene-3,23-diol (CAS 65892-76-4) is a chemical compound with molecular formula C31H52O3 and molecular weight 472.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-ol
Also Known As: Soyasapogenol D, 22-Methoxyolean-13(18)-ene-3,23-diol, (5xi)-22beta-Methoxyolean-13(18)-ene-3beta,24-diol, (3S,4S,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-ol
| Molecular Formula | C31H52O3 |
|---|---|
| Molecular Weight | 472.39 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 472.39163 |
| Heavy Atoms | 34 |
| Complexity | 876.0 |
Chemical Identifiers
| CAS Number | 65892-76-4 |
|---|---|
| SMILES | C[C@]12CC[C@@H]([C@](C1CC[C@@]3([C@@H]2CCC4=C5CC(C[C@H]([C@@]5(CC[C@]43C)C)OC)(C)C)C)(C)CO)O |
| InChIKey | JAQZKPHHLRTVCY-LBVOPIFJSA-N |
Product Overview
22-Methoxyolean-13(18)-ene-3,23-diol (CAS 65892-76-4), with molecular formula C31H52O3 and molecular weight 472.39 g/mol. IUPAC: (3S,4S,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-ol.
Chemical Property Profile of 22-Methoxyolean-13(18)-ene-3,23-diol
Property Insights of 22-Methoxyolean-13(18)-ene-3,23-diol
The XLogP value of 7.2 indicates that 22-Methoxyolean-13(18)-ene-3,23-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 22-Methoxyolean-13(18)-ene-3,23-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 22-Methoxyolean-13(18)-ene-3,23-diol has 2 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 22-Methoxyolean-13(18)-ene-3,23-diol?
The CAS number of 22-Methoxyolean-13(18)-ene-3,23-diol is 65892-76-4.
What is the molecular formula of 22-Methoxyolean-13(18)-ene-3,23-diol?
The molecular formula of 22-Methoxyolean-13(18)-ene-3,23-diol is C31H52O3.
What is the molecular weight of 22-Methoxyolean-13(18)-ene-3,23-diol?
The molecular weight of 22-Methoxyolean-13(18)-ene-3,23-diol is 472.39 g/mol.
Where can I buy 22-Methoxyolean-13(18)-ene-3,23-diol?
You can request a quote for 22-Methoxyolean-13(18)-ene-3,23-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 22-Methoxyolean-13(18)-ene-3,23-diol?
Yes, KEHONG BIO provides custom synthesis services for 22-Methoxyolean-13(18)-ene-3,23-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.