Utilin
TL;DR: Utilin (CAS 31218-22-1) is a chemical compound with molecular formula C41H52O17 and molecular weight 816.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6S,8R,17S,18S,20R,22S)-8-acetyloxy-17-(furan-3-yl)-3,7-dihydroxy-22-(2-methoxy-2-oxoethyl)-2,5,11,18-tetramethyl-20-(2-methylbutanoyloxy)-15-oxo-10,12,16,21-tetraoxaheptacyclo[9.9.1.12,5.01,9.03,7.09,13.013,18]docosan-6-yl] 2,3-dimethyloxirane-2-carboxylate
Also Known As: Utilin, 7H-6a,13-Epoxy-7,9-methano(1,3)dioxolo(4,5-e)indeno(5,6-f)(2)benzopyran-16-acetic acid, 11-(acetyloxy)-10-(((2,3-dimethyloxiranyl)carbonyl)oxy)-4-(3-furanyl)dodecahydro-7a,10a-dihydroxy-4a,7,9,13-tetramethyl-6-(2-methyl-1-oxobutoxy)-2-oxo-, methyl ester, (4S-(4alpha,4aalpha,6alpha(S*),6aalpha,7beta,7aalpha,9beta,10beta(2S*,3S*),10aalpha,11alpha,11abeta*,13alpha,14aR*,16R*))-, Methyl (4S-(4alpha,4aalpha,6alpha(S*),6aalpha,7beta,7aalpha,9beta,10beta(2S*,3S*),10aalpha,11alpha,11abeta*,13alpha,14aR*,16R*))-11-(acetyloxy)-10-(((2,3-dimethyloxiranyl)carbonyl)oxy)-4-(3-furanyl)dodecahydro-7a,10a-dihydroxy-4a,7,9,13-tetramethyl-6-(2-methyl-1-oxobutoxy)-2-oxo-7H-6a,13-epoxy-7,9-methano(1,3)dioxolo(4,5-e)indeno(5,6-f)(2)benzopyran-16-acetate, Methyl 11-(acetyloxy)-10-(((2,3-dimethyloxiranyl)carbonyl)oxy)-4-(3-furanyl)dodecahydro-7a,10a-dihydroxy-4a,7,9,13-tetramethyl-6-(2-methyl-1-oxobutoxy)-2-oxo-7H-6a,13-epoxy-7,9-methano(1,3)dioxolo(4,5-e)indeno(5,6-f)(2)benzopyran-16-acetate (4S-(4alpha,4aalpha,6alpha(S*),6aalpha,7beta,7aalpha,9beta,10beta(2S*,3S*),10aalpha,11alpha,11abeta*,13alpha,14aR*,16R*))-
| Molecular Formula | C41H52O17 |
|---|---|
| Molecular Weight | 816.32 g/mol |
| LogP | 2.7085 |
| Topological Polar Surface Area | 225.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 816.32043 |
| Heavy Atoms | 58 |
| Complexity | 2020.3523 |
Chemical Identifiers
| CAS Number | 31218-22-1 |
|---|---|
| SMILES | CCC(C)C(=O)O[C@@H]1C[C@]2([C@@H](OC(=O)CC23C45C1(C6([C@H](C7(CC6(C([C@H]7OC(=O)C8(C(O8)C)C)([C@H]4OC(=O)C)O)O)C)CC(=O)OC)C)OC(O3)(O5)C)C9=COC=C9)C |
Product Overview
Utilin (CAS 31218-22-1), with molecular formula C41H52O17 and molecular weight 816.32 g/mol. IUPAC: [(6S,8R,17S,18S,20R,22S)-8-acetyloxy-17-(furan-3-yl)-3,7-dihydroxy-22-(2-methoxy-2-oxoethyl)-2,5,11,18-tetramethyl-20-(2-methylbutanoyloxy)-15-oxo-10,12,16,21-tetraoxaheptacyclo[9.9.1.12,5.01,9.03,7.09,13.013,18]docosan-6-yl] 2,3-dimethyloxirane-2-carboxylate.
Chemical Property Profile of Utilin
Property Insights of Utilin
The XLogP value of 2.7085 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Utilin. The TPSA of 225.32 Ų indicates high polarity, suggesting Utilin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Utilin has 2 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 Utilin?
The CAS number of Utilin is 31218-22-1.
What is the molecular formula of Utilin?
The molecular formula of Utilin is C41H52O17.
What is the molecular weight of Utilin?
The molecular weight of Utilin is 816.32 g/mol.
Where can I buy Utilin?
You can request a quote for Utilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Utilin?
Yes, KEHONG BIO provides custom synthesis services for Utilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.