![2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde structure](/static/products/7940/79404-98-1.webp)
2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
TL;DR: 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde (CAS 79404-98-1) is a chemical compound with molecular formula C44H73NO17 and molecular weight 887.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Also Known As: 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
| Molecular Formula | C44H73NO17 |
|---|---|
| Molecular Weight | 887.49 g/mol |
| LogP | 0.5253 |
| Topological Polar Surface Area | 260.67 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 887.48785 |
| Heavy Atoms | 62 |
| Complexity | 1525.3574 |
Chemical Identifiers
| CAS Number | 79404-98-1 |
|---|---|
| SMILES | CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)O)O |
Product Overview
2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde (CAS 79404-98-1), with molecular formula C44H73NO17 and molecular weight 887.49 g/mol. IUPAC: 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde.
Chemical Property Profile of 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Property Insights of 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
The XLogP value of 0.5253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde. The TPSA of 260.67 Ų indicates high polarity, suggesting 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde has 7 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde?
The CAS number of 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde is 79404-98-1.
What is the molecular formula of 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde?
The molecular formula of 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde is C44H73NO17.
What is the molecular weight of 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde?
The molecular weight of 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde is 887.49 g/mol.
Where can I buy 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde?
You can request a quote for 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-[6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.