20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate
TL;DR: 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate (CAS 6336-71-6) is a chemical compound with molecular formula C28H41NO8 and molecular weight 519.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-acetyloxy-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-16-oxo-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
Also Known As: 1-Ketodelphisin, 1-Oxodelphisine, 1-Ketodelphinine, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate, Aconitan-1-one, 8,14-bis(acetyloxy)-20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, (6alpha,14alpha,16beta)-
| Molecular Formula | C28H41NO8 |
|---|---|
| Molecular Weight | 519.28 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 519.2832 |
| Heavy Atoms | 37 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 6336-71-6 |
|---|---|
| SMILES | CCN1CC2(CCC(=O)C34C2C(C(C31)C5(CC(C6CC4C5C6OC(=O)C)OC)OC(=O)C)OC)COC |
| InChIKey | APBOLNYVKRXPAB-UHFFFAOYSA-N |
Product Overview
20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate (CAS 6336-71-6), with molecular formula C28H41NO8 and molecular weight 519.28 g/mol. IUPAC: [8-acetyloxy-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-16-oxo-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate.
Chemical Property Profile of 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate
Property Insights of 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate. Following Lipinski's Rule of Five, 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate?
The CAS number of 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate is 6336-71-6.
What is the molecular formula of 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate?
The molecular formula of 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate is C28H41NO8.
What is the molecular weight of 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate?
The molecular weight of 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate is 519.28 g/mol.
Where can I buy 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate?
You can request a quote for 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)-1-oxoaconitane-8,14-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.