Limonin diosphenol
19-(furan-3-yl)-11-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docos-10-ene-5,12,17-trione
Also Known As: Evodol|Evodol [M+H]+|LIMONIN DIOSPHENOL|(1R,2R,7S,13R,14R,16S,19S,20S)-19-(furan-3-yl)-11-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0^{2,7.0^{2,10.0^{14,16.0^{14,20]docos-10-ene-5,12,17-trione|(1R,2R,7S,13R,14R,16S,19S,20S)-19-(furan-3-yl)-11-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docos-10-ene-5,12,17-trione|12-(Furan-3-yl)-7-hydroxy-6,6,8a,12a-tetramethyl-4,4a,8a,12,12a,13,14,14a-octahydro-1H,3H-oxireno[c]pyrano[4'',3'':2',3']furo[3',4':5,6]naphtho[1,2-d]pyran-3,8,10(6H,9aH)-trione|19-(Furan-3-yl)-11-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docos-10-ene-5,12,17-trione
| Molecular Formula | C26H28O9 |
|---|---|
| Molecular Weight | 484.17334 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 484.17334 |
| Monoisotopic Mass | 484.17334 |
| Heavy Atoms | 35 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 989-95-7 |
|---|---|
| SMILES | CC1(C2=C(C(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)O)C |
| InChIKey | SNGHLUWTFLYPMT-UHFFFAOYSA-N |
Product Overview
Limonin diosphenol (CAS 989-95-7), with molecular formula C26H28O9 and molecular weight 484.17334 g/mol. IUPAC: 19-(furan-3-yl)-11-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docos-10-ene-5,12,17-trione.