AC1L7ALI
[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-(6-chloro-2-methoxyacridin-9-yl)sulfanylacetate
Also Known As: [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-(6-chloro-2-methoxyacridin-9-yl)sulfanylacetate|[2-[(8S,9S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-d|[2-[(8S,9S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-(6-chloro-2-methoxyacridin-9-yl)sulfanylacetate
| Molecular Formula | C37H36ClNO7S |
|---|---|
| Molecular Weight | 673.1901 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 673.1901 |
| Monoisotopic Mass | 673.1901 |
| Heavy Atoms | 47 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 83759-45-9 |
|---|---|
| SMILES | C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CSC4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC)O)CCC7=CC(=O)C=C[C@]37C |
| InChIKey | KRTGJHNXSFHDST-MIVFOVIQSA-N |
Product Overview
AC1L7ALI (CAS 83759-45-9), with molecular formula C37H36ClNO7S and molecular weight 673.1901 g/mol. IUPAC: [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-(6-chloro-2-methoxyacridin-9-yl)sulfanylacetate.
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