Laidlomycin butyrate
butyl 4-[7-hydroxy-2-[5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxypentanoate
Also Known As: Laidlomycin butyrate|butyl 4-[7-hydroxy-2-[5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxypentanoate|Monensin, 16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)-, 26-butanoate|butyl 4-(9-hydroxy-2-(5'-(6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl)-2,3'-dimethyloctahydro-[2,2'-bifuran]-5-yl)-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)-2-methyl-3-(propionyloxy)pentanoate|Butyl 4-(9-hydroxy-2-{5'-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl[2,2'-bioxolan]-5-yl}-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)-2-methyl-3-(propanoyloxy)pentanoate|butyl 4-[7-hydroxy-3-[5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxypentanoate|butyl 4-[9-hydroxy-2-[5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2-methyl-3-propanoyloxypentanoate
| Molecular Formula | C41H70O12 |
|---|---|
| Molecular Weight | 754.48676 g/mol |
| LogP | 5.4483 |
| Topological Polar Surface Area | 159.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 754.48676 |
| Monoisotopic Mass | 754.48676 |
| Heavy Atoms | 53 |
| Complexity | 1265.1633 |
Chemical Identifiers
| CAS Number | 78734-45-9 |
|---|---|
| SMILES | CCCCOC(=O)C(C)C(C(C)C1C(C(CC2(O1)CCC(O2)(C)C3CCC(O3)(C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C)O)C)OC(=O)CC |
Product Overview
Laidlomycin butyrate (CAS 78734-45-9), with molecular formula C41H70O12 and molecular weight 754.48676 g/mol. IUPAC: butyl 4-[7-hydroxy-2-[5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxypentanoate.