Versiconal acetate
[4-oxo-3-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)butyl] acetate
Also Known As: Versiconal acetate|AC1L239I|CTK1H1626|BRN 1443172|2-Anthraceneacetaldehyde, 9,10-dihydro-alpha-(2-(acetyloxy)ethyl)-9,10-dioxo-1,3,6,8-tetrahydroxy-|[4-oxo-3-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)butyl] acetate|2-Anthraceneacetaldehyde, .alpha.-[2-(acetyloxy)ethyl]-9,10-dihydro-1,3,6,8-tetrahydroxy-9,10-dioxo-, (-)-|4-OXO-3-(1,3,6,8-TETRAHYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACEN-2-YL)BUTYL ACETATE
| Molecular Formula | C20H16O9 |
|---|---|
| Molecular Weight | 400.07944 g/mol |
| LogP | 1.52 |
| Topological Polar Surface Area | 158.43 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.07944 |
| Heavy Atoms | 29 |
| Complexity | 1068.4 |
Chemical Identifiers
| CAS Number | 52021-61-1 |
|---|---|
| SMILES | CC(=O)OCCC(C=O)C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O |
Product Overview
Versiconal acetate (CAS 52021-61-1), with molecular formula C20H16O9 and molecular weight 400.07944 g/mol. IUPAC: [4-oxo-3-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)butyl] acetate.
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