Echugin
TL;DR: Echugin (CAS 9007-56-1) is a chemical compound with molecular formula C42H66O17 and molecular weight 842.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[14-hydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Echugin, Echujin, 3-((Hexopyranosyl-(1->6)hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide, 3-[14-hydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 3-[14-hydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
| Molecular Formula | C42H66O17 |
|---|---|
| Molecular Weight | 842.43 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 842.43 |
| Heavy Atoms | 59 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 9007-56-1 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O |
| InChIKey | ITKDSJDYFJAVTJ-UHFFFAOYSA-N |
Product Overview
Echugin (CAS 9007-56-1), with molecular formula C42H66O17 and molecular weight 842.43 g/mol. IUPAC: 3-[14-hydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Echugin
Property Insights of Echugin
The XLogP value of -0.7 indicates that Echugin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 253.0 Ų indicates high polarity, suggesting Echugin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Echugin has 8 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Echugin?
The CAS number of Echugin is 9007-56-1.
What is the molecular formula of Echugin?
The molecular formula of Echugin is C42H66O17.
What is the molecular weight of Echugin?
The molecular weight of Echugin is 842.43 g/mol.
Where can I buy Echugin?
You can request a quote for Echugin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Echugin?
Yes, KEHONG BIO provides custom synthesis services for Echugin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.