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Demethylzeylasteral [M+H]+
TL;DR: Demethylzeylasteral [M+H]+ (CAS 107316-88-1) is a chemical compound with molecular formula C29H36O6 and molecular weight 480.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
Also Known As: Demethylzeylasteral, Demethylzeylasteral [M+H]+, B0005-464544, (2R,4aS,6aS,12bR,14aS,14bR)-9-formyl-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid, 9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
| Molecular Formula | C29H36O6 |
|---|---|
| Molecular Weight | 480.25 g/mol |
| LogP | 5.7882 |
| Topological Polar Surface Area | 111.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 480.2512 |
| Heavy Atoms | 35 |
| Complexity | 1214.0142 |
Chemical Identifiers
| CAS Number | 107316-88-1 |
|---|---|
| SMILES | CC12CCC(CC1C3(CCC4(C5=CC(=C(C(=C5C(=O)C=C4C3(CC2)C)C=O)O)O)C)C)(C)C(=O)O |
Product Overview
Demethylzeylasteral [M+H]+ (CAS 107316-88-1), with molecular formula C29H36O6 and molecular weight 480.25 g/mol. IUPAC: 9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid.
Chemical Property Profile of Demethylzeylasteral [M+H]+
Property Insights of Demethylzeylasteral [M+H]+
The XLogP value of 5.7882 indicates that Demethylzeylasteral [M+H]+ is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Demethylzeylasteral [M+H]+. Following Lipinski's Rule of Five, Demethylzeylasteral [M+H]+ has 3 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 Demethylzeylasteral [M+H]+?
The CAS number of Demethylzeylasteral [M+H]+ is 107316-88-1.
What is the molecular formula of Demethylzeylasteral [M+H]+?
The molecular formula of Demethylzeylasteral [M+H]+ is C29H36O6.
What is the molecular weight of Demethylzeylasteral [M+H]+?
The molecular weight of Demethylzeylasteral [M+H]+ is 480.25 g/mol.
Where can I buy Demethylzeylasteral [M+H]+?
You can request a quote for Demethylzeylasteral [M+H]+ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethylzeylasteral [M+H]+?
Yes, KEHONG BIO provides custom synthesis services for Demethylzeylasteral [M+H]+ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.