Megalomycin C1
[4-acetyloxy-6-[[6,7-bis[[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy]-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-2,4-dimethyloxan-3-yl] acetate
Also Known As: Megalomycin C1|Megalomicin C1|Antibiotic XK 41A2|3',4'-Diacetylmegalomycin A|XK-41-A2|W-847-C1|Megalomicin A, 3(sup A),4(sup A)-diacetate|[4-acetyloxy-6-[[6,7-bis[[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy]-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-2,4-dimethyloxan-3-yl] acetate
| Molecular Formula | C48H84N2O17 |
|---|---|
| Molecular Weight | 960.577 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 13 |
| Exact Mass | 960.577 |
| Monoisotopic Mass | 960.577 |
| Heavy Atoms | 67 |
| Complexity | 1690.0 |
Chemical Identifiers
| CAS Number | 49669-76-3 |
|---|---|
| SMILES | CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)C)(C)OC(=O)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC4C(C(CC(O4)C)N(C)C)O)C)C)O)(C)O |
| InChIKey | AOCKNXLGBSUHIQ-UHFFFAOYSA-N |
Product Overview
Megalomycin C1 (CAS 49669-76-3), with molecular formula C48H84N2O17 and molecular weight 960.577 g/mol. IUPAC: [4-acetyloxy-6-[[6,7-bis[[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy]-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-2,4-dimethyloxan-3-yl] acetate.