Aethylhexylketonhelveticosid
TL;DR: Aethylhexylketonhelveticosid (CAS 5339-22-0) is a chemical compound with molecular formula C38H58O9 and molecular weight 658.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-ethyl-2-hexyl-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Aethylhexylketonhelveticosid, Aethylhexylketonhelveticosid [German], 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(1-ethylheptylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, 3-{[2,6-dideoxy-3,4-o-(1-ethylheptylidene)hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide, 3-[(2-ethyl-2-hexyl-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
| Molecular Formula | C38H58O9 |
|---|---|
| Molecular Weight | 658.41 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 658.4081 |
| Heavy Atoms | 47 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 5339-22-0 |
|---|---|
| SMILES | CCCCCCC1(OC2CC(OC(C2O1)C)OC3CCC4(C5CCC6(C(CCC6(C5CCC4(C3)O)O)C7=CC(=O)OC7)C)C=O)CC |
| InChIKey | WWMXNLQXJRAOLA-UHFFFAOYSA-N |
Product Overview
Aethylhexylketonhelveticosid (CAS 5339-22-0), with molecular formula C38H58O9 and molecular weight 658.41 g/mol. IUPAC: 3-[(2-ethyl-2-hexyl-4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of Aethylhexylketonhelveticosid
Property Insights of Aethylhexylketonhelveticosid
The XLogP value of 4.9 indicates that Aethylhexylketonhelveticosid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aethylhexylketonhelveticosid. Following Lipinski's Rule of Five, Aethylhexylketonhelveticosid 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 Aethylhexylketonhelveticosid?
The CAS number of Aethylhexylketonhelveticosid is 5339-22-0.
What is the molecular formula of Aethylhexylketonhelveticosid?
The molecular formula of Aethylhexylketonhelveticosid is C38H58O9.
What is the molecular weight of Aethylhexylketonhelveticosid?
The molecular weight of Aethylhexylketonhelveticosid is 658.41 g/mol.
Where can I buy Aethylhexylketonhelveticosid?
You can request a quote for Aethylhexylketonhelveticosid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aethylhexylketonhelveticosid?
Yes, KEHONG BIO provides custom synthesis services for Aethylhexylketonhelveticosid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.