Deguelin
(1S,14S)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
Also Known As: Deguelin|(-)-Deguelin|(-)-cis-deguelin|DEGUELIN(-)|Dequelin|Legumelin|Deguelin/|Deguelin (6CI)|Tocris-1770|3H-Bis(1)benzopyrano|Spectrum_001044|12-alpha-Deoxytephrosin|DEGUELIN [MI]|Spectrum2_000298|Spectrum3_001122|Spectrum4_001965|Spectrum5_001852|3H-Bis(1)|BSPBio_002583|KBioGR_002434|KBioSS_001524|SPECTRUM201138|(-)-Deguelin, Mundulea sericea|SPBio_000236|ERK5-5H18|KBio2_001524|KBio2_004092|KBio2_006660|KBio3_002083|(-)-Deguelin;(-)-cis-Deguelin
| Molecular Formula | C23H22O6 |
|---|---|
| Molecular Weight | 394.14163 g/mol |
| LogP | 4.01 |
| Topological Polar Surface Area | 63.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.14163 |
| Heavy Atoms | 29 |
| Complexity | 1051.8 |
Chemical Identifiers
| CAS Number | 522-17-8 |
|---|---|
| SMILES | CC1(C=CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC)C |
Product Overview
Deguelin (CAS 522-17-8), with molecular formula C23H22O6 and molecular weight 394.14163 g/mol. IUPAC: (1S,14S)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one.
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