Methylgymnaconitine
TL;DR: Methylgymnaconitine (CAS 103956-42-9) is a chemical compound with molecular formula C35H49NO8 and molecular weight 611.3458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[11-ethyl-8-hydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Also Known As: Methylgymnaconitine, Aconitane-8,14-diol, 20-ethyl-1,16-dimethoxy-4-(methoxymethyl)-, 14-(3-(3,4-dimethoxyphenyl)-2-propenoate), (1alpha,14alpha(E),16beta)-, [11-ethyl-8-hydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate, Oleanolic acid 3-O-Beta-D-glucosyl-( 1 inverted exclamation marku3)-Alpha-L-ramnosyl(1 inverted exclamation marku2)-Alpha-L-arabinoside
Technical Specifications
| Molecular Formula | C35H49NO8 |
| Molecular Weight | 611.3458 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 611.3458 Da |
| Heavy Atoms | 44 |
| Complexity | 1120.0 |
| SMILES | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6OC(=O)/C=C/C7=CC(=C(C=C7)OC)OC)OC)O)OC)COC |
| InChIKey | WLRWZOWXGYYWOQ-PKNBQFBNSA-N |
Chemical Property Profile of Methylgymnaconitine
Property Insights of Methylgymnaconitine
The XLogP value of 3.5 indicates that Methylgymnaconitine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylgymnaconitine. Following Lipinski's Rule of Five, Methylgymnaconitine has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Methylgymnaconitine?
The CAS number of Methylgymnaconitine is 103956-42-9.
What is the molecular formula of Methylgymnaconitine?
The molecular formula of Methylgymnaconitine is C35H49NO8.
What is the molecular weight of Methylgymnaconitine?
The molecular weight of Methylgymnaconitine is 611.3458 g/mol.
Where can I buy Methylgymnaconitine?
You can request a quote for Methylgymnaconitine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methylgymnaconitine?
Yes, CoreyChem provides custom synthesis services for Methylgymnaconitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.