Thesin
bis[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl] 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
Also Known As: Thesin|Thesine|1,3-Cyclobutanedicarboxylic acid, 2,4-bis(4-hydroxyphenyl)-, bis((hexahydro-1H-pyrrolizin-1-yl)methyl) ester, (1alpha(1R*,7aR*),2alpha,3beta(1R*,7aR*),4beta)-(+)-|Bis((hexahydro-1H-pyrrolizin-1-yl)methyl) 2,4-bis(4-hydroxyphenyl)-1,3-cyclobutanedicarboxylate (1alpha(1R*,7aR*),2alpha,3beta(1R*,7aR*),4beta)-(+)-|bis[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl] 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate|1,3-Cyclobutanedicarboxylic acid,2,4-bis(4-hydroxyphenyl)-,bis((hexahydro-1H-pyrrolizin-1-yl)methyl) ester,(1alpha(1R*,7aR*),2alpha,3beta(1R*,7aR*),4beta)-(+)|Bis[(hexahydro-1H-pyrrolizin-1-yl)methyl] 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate|Bis{[(1R,7aR)-hexahydro-1H-pyrrolizin-1-yl]methyl} 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
| Molecular Formula | C34H42N2O6 |
|---|---|
| Molecular Weight | 574.30426 g/mol |
| LogP | 4.2662 |
| Topological Polar Surface Area | 99.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 574.30426 |
| Monoisotopic Mass | 574.30426 |
| Heavy Atoms | 42 |
| Complexity | 1174.4423 |
Chemical Identifiers
| CAS Number | 528-37-0 |
|---|---|
| SMILES | C1C[C@@H]2[C@@H](CCN2C1)COC(=O)C3C(C(C3C4=CC=C(C=C4)O)C(=O)OC[C@@H]5CCN6[C@@H]5CCC6)C7=CC=C(C=C7)O |
Product Overview
Thesin (CAS 528-37-0), with molecular formula C34H42N2O6 and molecular weight 574.30426 g/mol. IUPAC: bis[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl] 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate.