Arctigenin
(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
| Molecular Formula | C21H24O6 |
|---|---|
| Molecular Weight | 372.4 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 74.2 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.1573 |
| Heavy Atoms | 27 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 7770-78-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC |
| InChIKey | NQWVSMVXKMHKTF-JKSUJKDBSA-N |
📖 Product Overview
Arctigenin (CAS: 7770-78-7) is a chemical compound with molecular formula C21H24O6 and molecular weight 372.4 g/mol. Its IUPAC systematic name is (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one.
NQWVSMVXKMHKTF-JKSUJKDBSA-N.
SMILES: COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC.
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