Nimolicinol
[(1S,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-1-hydroxy-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydronaphtho[2,1-f]isochromen-5-yl] acetate
Also Known As: Nimolicinol|(1s,4br,5r,6ar,10ar,10br,12ar)-1-(furan-3-yl)-1-hydroxy-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-3,4b,5,6,6a,7,8,10a,10b,11,12,12a-dodecahydro-1h-naphtho[2,1-f]isochromen-5-yl acetate|5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione|[(1S,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-1-hydroxy-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydronaphtho[2,1-f]isochromen-5-yl] acetate|[(1S,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-1-hydroxy-4b,|((1S,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-1-hydroxy-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydronaphtho(2,1-f)isochromen-5-yl) acetate|(13alpha)-7alpha-(Acetyloxy)-21,23-epoxy-17a-hydroxy-4,4,8-trimethyl-D-homo-24-nor-17-oxa-5alpha-chola-1,14,20,22-tetrene-3,16-dione|(1S,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-1-hydroxy-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-1H,3H,4bH,5H,6H,6aH,7H,8H,10aH,10bH,11H,12H,12aH-naphtho[2,1-f]isochromen-5-yl acetate|(1S,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-1-hydroxy-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-3,4b,5,6,6a,7,8,10a,10b,11,12,12a-dodecahydro-1H-naphtho(2,1-f)isochromen-5-yl acetate
| Molecular Formula | C28H34O7 |
|---|---|
| Molecular Weight | 482.23044 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 482.23044 |
| Monoisotopic Mass | 482.23044 |
| Heavy Atoms | 35 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 89366-02-9 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1(C4=CC(=O)O[C@@]([C@@]4(CC3)C)(C5=COC=C5)O)C)C |
| InChIKey | VXKRRVRNHBWLTO-VBPYNQNZSA-N |
Product Overview
Nimolicinol (CAS 89366-02-9), with molecular formula C28H34O7 and molecular weight 482.23044 g/mol. IUPAC: [(1S,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-1-hydroxy-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydronaphtho[2,1-f]isochromen-5-yl] acetate.