BE 52440A
methyl 2-[4a-[[9,10a-dihydroxy-3-(2-methoxy-2-oxoethyl)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-4a-yl]sulfanyl]-9,10a-dihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
Also Known As: BE 52440A|BE-52440A|BS-1576|Methyl 2-[4a-[[9,10a-dihydroxy-3-(2-methoxy-2-oxoethyl)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-4a-yl]sulfanyl]-9,10a-dihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
| Molecular Formula | C34H34O14S |
|---|---|
| Molecular Weight | 698.16693 g/mol |
| LogP | 1.71 |
| Topological Polar Surface Area | 220.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 698.16693 |
| Monoisotopic Mass | 698.16693 |
| Heavy Atoms | 49 |
| Complexity | 1693.8779 |
Chemical Identifiers
| CAS Number | 195051-22-0 |
|---|---|
| SMILES | CC1C2(C(=O)C3=C(C=CC=C3O)C(=O)C2(CC(O1)CC(=O)OC)SC45CC(OC(C4(C(=O)C6=C(C5=O)C=CC=C6O)O)C)CC(=O)OC)O |
Product Overview
BE 52440A (CAS 195051-22-0), with molecular formula C34H34O14S and molecular weight 698.16693 g/mol. IUPAC: methyl 2-[4a-[[9,10a-dihydroxy-3-(2-methoxy-2-oxoethyl)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-4a-yl]sulfanyl]-9,10a-dihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate.