20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate
TL;DR: 20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate (CAS 1399-07-1) is a chemical compound with molecular formula C28H43NO8 and molecular weight 521.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,6S,8R,9R,10S,13S,17R)-8-acetyloxy-11-ethyl-16-hydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
Also Known As: Delphisine, 20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate, (13xi,17S)-20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)-16beta-aconitane-8,14-diyl diacetate, Aconitane-1,8,14-triol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, 8,14-diacetate, (1.alpha.,6.alpha.,14.alpha.,16.beta.)-
| Molecular Formula | C28H43NO8 |
|---|---|
| Molecular Weight | 521.30 g/mol |
| LogP | 1.6436 |
| Topological Polar Surface Area | 103.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 521.2989 |
| Heavy Atoms | 37 |
| Complexity | 960.4666 |
Chemical Identifiers
| CAS Number | 1399-07-1 |
|---|---|
| SMILES | CCN1C[C@@]2(CCC(C34[C@@H]1[C@H](C([C@H]23)OC)[C@]5(C[C@@H](C6C[C@@H]4[C@@H]5C6OC(=O)C)OC)OC(=O)C)O)COC |
Product Overview
20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate (CAS 1399-07-1), with molecular formula C28H43NO8 and molecular weight 521.30 g/mol. IUPAC: [(2R,3R,6S,8R,9R,10S,13S,17R)-8-acetyloxy-11-ethyl-16-hydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate.
Chemical Property Profile of 20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate
Property Insights of 20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate
The XLogP value of 1.6436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate. The TPSA of 103.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate. Following Lipinski's Rule of Five, 20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate has 1 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-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate?
The CAS number of 20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate is 1399-07-1.
What is the molecular formula of 20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate?
The molecular formula of 20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate is C28H43NO8.
What is the molecular weight of 20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate?
The molecular weight of 20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate is 521.30 g/mol.
Where can I buy 20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate?
You can request a quote for 20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-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-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 20-Ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.