Pladienolide D
[(4E)-7,10-dihydroxy-2-[(2E,4E)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate
Also Known As: Pladienolide D|J2.041.030B|(8E,12E,14E)-7-acetoxy-3,6,16,21-tetrahydroxy-6,10,12,16,20-pentamethyl-18,19-epoxytricosa-8,12,14-trien-11-olide|[(4E)-7,10-dihydroxy-2-[(2E,4E)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate|(4E)-7,10-dihydroxy-2-[(2E,4E)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl acetate|(8E,12E,14E)-7-acetoxy-6,10,12,16,20-pentamethyl-3,6,16,21-tetrahydroxy-18,19-epoxytricosa-8,12,14-trien-11-olide|(8E,12E,14E)-7-acetoxy-6,3,16,21-tetrahydroxy-6,10,12,16,20-pentamethyl-18,19-epoxytricosa-8,12,14-trien-11-olide|(E)-8-Acetoxy-12-[(1E,3E)-7,8-epoxy-5,10-dihydroxy-1,5,9-trimethyl-1,3-dodecadiene-1-yl]-4,7-dihydroxy-7,11-dimethyl-1-oxa-9-cyclododecen-2-one
| Molecular Formula | C30H48O9 |
|---|---|
| Molecular Weight | 552.32983 g/mol |
| LogP | 3.136 |
| Topological Polar Surface Area | 146.05 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 552.32983 |
| Monoisotopic Mass | 552.32983 |
| Heavy Atoms | 39 |
| Complexity | 919.39374 |
Chemical Identifiers
| CAS Number | 445487-91-2 |
|---|---|
| SMILES | CCC(C(C)C1C(O1)CC(C)(/C=C/C=C(\C)/C2C(/C=C/C(C(CCC(CC(=O)O2)O)(C)O)OC(=O)C)C)O)O |
Product Overview
Pladienolide D (CAS 445487-91-2), with molecular formula C30H48O9 and molecular weight 552.32983 g/mol. IUPAC: [(4E)-7,10-dihydroxy-2-[(2E,4E)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate.