Gymnaconitine
TL;DR: Gymnaconitine (CAS 103956-41-8) is a chemical compound with molecular formula C34H47NO8 and molecular weight 597.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[11-ethyl-8,16-dihydroxy-6-methoxy-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: Gymnaconitine, Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-(methoxymethyl)-, 14-(3-(3,4-dimethoxyphenyl)-2-propenoate), (1alpha,14alpha(E),16beta)-, [11-ethyl-8,16-dihydroxy-6-methoxy-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, RefChem:144844
| Molecular Formula | C34H47NO8 |
|---|---|
| Molecular Weight | 597.33 g/mol |
| LogP | 3.1586 |
| Topological Polar Surface Area | 106.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 597.33014 |
| Heavy Atoms | 43 |
| Complexity | 1286.8435 |
Chemical Identifiers
| CAS Number | 103956-41-8 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6OC(=O)/C=C/C7=CC(=C(C=C7)OC)OC)OC)O)O)COC |
Product Overview
Gymnaconitine (CAS 103956-41-8), with molecular formula C34H47NO8 and molecular weight 597.33 g/mol. IUPAC: [11-ethyl-8,16-dihydroxy-6-methoxy-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.
Chemical Property Profile of Gymnaconitine
Property Insights of Gymnaconitine
The XLogP value of 3.1586 indicates that Gymnaconitine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Gymnaconitine. Following Lipinski's Rule of Five, Gymnaconitine has 2 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 Gymnaconitine?
The CAS number of Gymnaconitine is 103956-41-8.
What is the molecular formula of Gymnaconitine?
The molecular formula of Gymnaconitine is C34H47NO8.
What is the molecular weight of Gymnaconitine?
The molecular weight of Gymnaconitine is 597.33 g/mol.
Where can I buy Gymnaconitine?
You can request a quote for Gymnaconitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gymnaconitine?
Yes, KEHONG BIO provides custom synthesis services for Gymnaconitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.