Acetylkidamycin
[6-[12-acetyloxy-10-[5-acetyloxy-4-(dimethylamino)-4,6-dimethyloxan-2-yl]-2-but-2-en-2-yl-11-hydroxy-12-methoxy-5-methyl-4,7-dioxonaphtho[7,6-h]chromen-8-yl]-4-(dimethylamino)-2-methyloxan-3-yl] acetate
Also Known As: Acetylkidamycin|NCI60_000943|[6-[12-acetyloxy-10-[5-acetyloxy-4-(dimethylamino)-4,6-dimethyloxan-2-yl]-2-but-2-en-2-yl-11-hydroxy-12-methoxy-5-methyl-4,7-dioxonaphtho[7,6-h]chromen-8-yl]-4-(dimethylamino)-2-methyloxan-3-yl] acetate
| Molecular Formula | C46H58N2O13 |
|---|---|
| Molecular Weight | 846.39386 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Exact Mass | 846.39386 |
| Monoisotopic Mass | 846.39386 |
| Heavy Atoms | 61 |
| Complexity | 1780.0 |
Chemical Identifiers
| CAS Number | 39293-24-8 |
|---|---|
| SMILES | CC=C(C)C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C(C3(OC)OC(=O)C)C(=C(C=C4C5CC(C(C(O5)C)OC(=O)C)N(C)C)C6CC(C(C(O6)C)OC(=O)C)(C)N(C)C)O |
| InChIKey | XYJIEMFSVFBJNI-UHFFFAOYSA-N |
Product Overview
Acetylkidamycin (CAS 39293-24-8), with molecular formula C46H58N2O13 and molecular weight 846.39386 g/mol. IUPAC: [6-[12-acetyloxy-10-[5-acetyloxy-4-(dimethylamino)-4,6-dimethyloxan-2-yl]-2-but-2-en-2-yl-11-hydroxy-12-methoxy-5-methyl-4,7-dioxonaphtho[7,6-h]chromen-8-yl]-4-(dimethylamino)-2-methyloxan-3-yl] acetate.