Cordatolide B
(16R,17S,18R)-18-hydroxy-6,10,10,16,17-pentamethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one
Also Known As: Cordatolide B|Cordatolide A|hydroxy(pentamethyl)[?]one|(16R,17S,18R)-18-hydroxy-6,10,10,16,17-pentamethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one|2H,6H,10H-Benzo(1,2-b:3,4-b':5,6-b'')tripyan-2-one, 11,12-dihydro-12-hydroxy-4,6,6,10,11-pentamethyl-, (10alpha,11beta,12beta)-(-)-|(10R,11S,12R)-12-Hydroxy-4,6,6,10,11-pentamethyl-11,12-dihydro-2H,6H,10H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one|(16R,17S,18R)-18-hydroxy-6,10,10,16,17-pentamethyl-3,9,15-trioxatetracyclo(12.4.0.02,7.08,13)octadeca-1(14),2(7),5,8(13),11-pentaen-4-one|2H,6H,10H-Benzo[1,2-b:3,4-b':5,6-b'']tripyan-2-one, 11,12-dihydro-12-hydroxy-4,6,6,10,11-pentamethyl-, (10.alpha.,11.beta.,12.beta.)-(-)-
| Molecular Formula | C20H22O5 |
|---|---|
| Molecular Weight | 342.14673 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 342.14673 |
| Monoisotopic Mass | 342.14673 |
| Heavy Atoms | 25 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 98524-45-9 |
|---|---|
| SMILES | C[C@@H]1[C@H](OC2=C([C@@H]1O)C3=C(C(=CC(=O)O3)C)C4=C2C=CC(O4)(C)C)C |
| InChIKey | VFKOXOKVQKGOTG-GLKRBJQHSA-N |
Product Overview
Cordatolide B (CAS 98524-45-9), with molecular formula C20H22O5 and molecular weight 342.14673 g/mol. IUPAC: (16R,17S,18R)-18-hydroxy-6,10,10,16,17-pentamethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one.