Nirurinetin
(2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Also Known As: Nirurinetin|(2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one|(2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one|(2S)-2,3-Dihydro-5,6,7-trihydroxy-2alpha-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one|(2S)-5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one|(2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
| Molecular Formula | C20H20O6 |
|---|---|
| Molecular Weight | 356.12598 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.12598 |
| Monoisotopic Mass | 356.12598 |
| Heavy Atoms | 26 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 96253-70-2 |
|---|---|
| SMILES | CC(=CCC1=C(C(=C(C2=C1O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)O)O)C |
| InChIKey | JNPUBFNFLJGQTL-HNNXBMFYSA-N |
Product Overview
Nirurinetin (CAS 96253-70-2), with molecular formula C20H20O6 and molecular weight 356.12598 g/mol. IUPAC: (2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one.
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