NSC144145
[(9E,19E,21E)-26-[[cyclohexyl(methyl)amino]methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
Also Known As: (12E,14E,24E)-8-{[Cyclohexyl(methyl)amino]methyl}-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate|[(9E,19E,21E)-26-[[cyclohexyl(methyl)amino]methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
| Molecular Formula | C45H62N2O12 |
|---|---|
| Molecular Weight | 822.4303 g/mol |
| LogP | 6.51862 |
| Topological Polar Surface Area | 204.55 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 822.4303 |
| Monoisotopic Mass | 822.4303 |
| Heavy Atoms | 59 |
| Complexity | 2019.141 |
Chemical Identifiers
| CAS Number | 4233-83-4 |
|---|---|
| SMILES | CC1/C=C/C=C(/C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)CN(C)C5CCCCC5)\C |
Product Overview
NSC144145 (CAS 4233-83-4), with molecular formula C45H62N2O12 and molecular weight 822.4303 g/mol. IUPAC: [(9E,19E,21E)-26-[[cyclohexyl(methyl)amino]methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate.