3-O-Methylnetzahualcoyone 2-enol methyl ether
TL;DR: 3-O-Methylnetzahualcoyone 2-enol methyl ether (CAS 13811-18-2) is a chemical compound with molecular formula C32H42O6 and molecular weight 522.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-10,11-dimethoxy-2,4a,6,6a,9,14a-hexamethyl-4-oxo-3,5,8,13,14,14b-hexahydro-1H-picene-2-carboxylate
Also Known As: 3-O-Methylnetzahualcoyone 2-enol methyl ether, methyl 3-hydroxy-10,11-dimethoxy-2,4a,6,9,12b,14a-hexamethyl-4-oxo-1,2,3,4,4a,5,8,12b,13,14,14a,14b-dodecahydropicene-2-carboxylate, 24,25,26,27-Tetranoroleana-1,3,5(10),7,14-pentaen-29-oicacid, 21-hydroxy-2,3-dimethoxy-9,13,15-trimethyl-22-oxo-, methyl ester, (9b,13a,20a,21b)- (9CI), methyl 3-hydroxy-10,11-dimethoxy-2,4a,6,6a,9,14a-hexamethyl-4-oxo-3,5,8,13,14,14b-hexahydro-1H-picene-2-carboxylate, 24,25,26,27-Tetranoroleana-1,3,5(10),7,14-pentaen-29-oic acid, 21-hydroxy-2,3-dimethoxy-9,13,15-trimethyl-22-oxo-, methyl ester, (9beta,13alpha,20alpha,21beta)-
| Molecular Formula | C32H42O6 |
|---|---|
| Molecular Weight | 522.30 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 522.29816 |
| Heavy Atoms | 38 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 13811-18-2 |
|---|---|
| SMILES | CC1=C2C3=CCC4=C(C(=C(C=C4C3(CCC2(C5CC(C(C(=O)C5(C1)C)O)(C)C(=O)OC)C)C)OC)OC)C |
| InChIKey | KJMPDXKVPLVYCO-UHFFFAOYSA-N |
Product Overview
3-O-Methylnetzahualcoyone 2-enol methyl ether (CAS 13811-18-2), with molecular formula C32H42O6 and molecular weight 522.30 g/mol. IUPAC: methyl 3-hydroxy-10,11-dimethoxy-2,4a,6,6a,9,14a-hexamethyl-4-oxo-3,5,8,13,14,14b-hexahydro-1H-picene-2-carboxylate.
Chemical Property Profile of 3-O-Methylnetzahualcoyone 2-enol methyl ether
Property Insights of 3-O-Methylnetzahualcoyone 2-enol methyl ether
The XLogP value of 5.6 indicates that 3-O-Methylnetzahualcoyone 2-enol methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-Methylnetzahualcoyone 2-enol methyl ether. Following Lipinski's Rule of Five, 3-O-Methylnetzahualcoyone 2-enol methyl ether has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-O-Methylnetzahualcoyone 2-enol methyl ether?
The CAS number of 3-O-Methylnetzahualcoyone 2-enol methyl ether is 13811-18-2.
What is the molecular formula of 3-O-Methylnetzahualcoyone 2-enol methyl ether?
The molecular formula of 3-O-Methylnetzahualcoyone 2-enol methyl ether is C32H42O6.
What is the molecular weight of 3-O-Methylnetzahualcoyone 2-enol methyl ether?
The molecular weight of 3-O-Methylnetzahualcoyone 2-enol methyl ether is 522.30 g/mol.
Where can I buy 3-O-Methylnetzahualcoyone 2-enol methyl ether?
You can request a quote for 3-O-Methylnetzahualcoyone 2-enol methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Methylnetzahualcoyone 2-enol methyl ether?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Methylnetzahualcoyone 2-enol methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.