Anhydrophlegmacin B2
1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-10H-anthracen-9-one
Also Known As: Anhydrophlegmacin|Anhydrophlegmacin B2|1,2',5',8,10'-pentahydroxy-3,7'-dimethoxy-2',6-dimethyl-1',2',3',4',9,10-hexahydro-[2,9'-bianthracene]-4',9-dione|1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-10H-anthracen-9-one|2 ,3 -Dihydro-1,2 ,5 ,8,10 -pentahydroxy-3,7 -dimethoxy-2 ,6-dimethyl[2,9 -bianthracene]-4 ,9(1 H,10H)-dione|2',3'-Dihydro-1,2',5',8,10'-pentahydroxy-3,7'-dimethoxy-2',6-dimethyl[2,9'-bianthracene]-4',9 -dione
| Molecular Formula | C32H28O9 |
|---|---|
| Molecular Weight | 556.17334 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 556.17334 |
| Monoisotopic Mass | 556.17334 |
| Heavy Atoms | 41 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 40451-45-4 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2)OC)C4=C5CC(CC(=O)C5=C(C6=C4C=C(C=C6O)OC)O)(C)O)O |
| InChIKey | PBRWKDURCHPDEL-UHFFFAOYSA-N |
Product Overview
Anhydrophlegmacin B2 (CAS 40451-45-4), with molecular formula C32H28O9 and molecular weight 556.17334 g/mol. IUPAC: 1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-10H-anthracen-9-one.