Mitorubrin
[(7R)-7-methyl-6,8-dioxo-3-[(E)-prop-1-enyl]isochromen-7-yl] 2,4-dihydroxy-6-methylbenzoate
Also Known As: Mitorubrin|(-)-mitorubrin|(?)-mitorubrin|1,1'-butane-1,1-diyldicyclohexane|Benzoic acid, 2,4-dihydroxy-6-methyl-, 7,8-dihydro-7-methyl-6,8-dioxo-3-(1-propenyl)-6H-2-benzopyran-7-yl ester, (R-(E))-|[(7R)-7-methyl-6,8-dioxo-3-[(E)-prop-1-enyl]isochromen-7-yl] 2,4-dihydroxy-6-methylbenzoate|(7R)-7-methyl-6,8-dioxo-3-[(1E)-prop-1-en-1-yl]-7,8-dihydro-6H-isochromen-7-yl 2,4-dihydroxy-6-methylbenzoate|((7R)-7-methyl-6,8-dioxo-3-((E)-prop-1-enyl)isochromen-7-yl) 2,4-dihydroxy-6-methylbenzoate|(7R)-7-methyl-6,8-dioxo-3-((1E)-prop-1-en-1-yl)-7,8-dihydro-6H-isochromen-7-yl 2,4-dihydroxy-6-methylbenzoate|(7R)-7-Methyl-6,8-dioxo-3-[(1E)-prop-1-en-1-yl]-7,8-dihydro-6H-2-benzopyran-7-yl 2,4-dihydroxy-6-methylbenzoate|.BETA.-RESORCYLIC ACID, 6-METHYL-, ESTER WITH 7-HYDROXY-7-METHYL-3-PROPENYL-6H-2-BENZOPYRAN-6,8(7H)-DIONE|2,4-Dihydroxy-6-methylbenzoic acid (R)-7,8-dihydro-7-methyl-6,8-dioxo-3-[(E)-1-propenyl]-6H-2-benzopyran-7-yl ester|7-methyl-6,8-dioxo-3-((1E)-prop-1-en-1-yl)-7,8-dihydro-6H-isochromen-7-yl 2,4-dihydroxy-6-methylbenzoate
| Molecular Formula | C21H18O7 |
|---|---|
| Molecular Weight | 382.10526 g/mol |
| LogP | 2.77402 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.10526 |
| Monoisotopic Mass | 382.10526 |
| Heavy Atoms | 28 |
| Complexity | 1000.1849 |
Chemical Identifiers
| CAS Number | 3403-71-2 |
|---|---|
| SMILES | C/C=C/C1=CC2=CC(=O)[C@@](C(=O)C2=CO1)(C)OC(=O)C3=C(C=C(C=C3C)O)O |
Product Overview
Mitorubrin (CAS 3403-71-2), with molecular formula C21H18O7 and molecular weight 382.10526 g/mol. IUPAC: [(7R)-7-methyl-6,8-dioxo-3-[(E)-prop-1-enyl]isochromen-7-yl] 2,4-dihydroxy-6-methylbenzoate.