| Phytochemical Name : (2S,4AR,6aR,7R,10R,10aS,10bS)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4a,5,6,6a,7,10,10a,10b-octahydro-1H-10,7-(epoxymethano)benzo[f]isochromene-4,12(2H)-dione |
| PCNDIDOT0149 |
| Pubchem CID : 442015 |
| Molecular formula: C20H22O6 |
| Canonical SMILES : CC12CCC3C(=O)OC(CC3(C1C4C=CC2(C(=O)O4)O)C)C5=COC=C5 |
Synonymes : Columbin|546-97-4|(2S,4AR,6aR,7R,10R,10aS,10bS)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4a,5,6,6a,7,10,10a,10b-octahydro-1H-10,7-(epoxymethano)benzo[f]isochromene-4,12(2H)-dione|(1R,2S,3S,5S,8R,11R,12R)-5-(Furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione|C09077|CHEBI:3829|SCHEMBL2153783|DTXSID70969857|HY-N0389|Columbin, >=95% (LC/MS-ELSD)|CS-6235|AC-34240|AS-82882|Q27106207|2-(Furan-3-yl)-7-hydroxy-6a,10b-dimethyl-1,2,4a,5,6,6a,7,10,10a,10b-decahydro-4H-10,7-(epoxymethano)naphtho[2,1-c]pyran-4,12-dione |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.120 |
| Log Po/w (XLOGP3) : 2.160 |
| Log Po/w (WLOGP) : 2.210 |
| Log Po/w (MLOGP) : 1.760 |
| Log Po/w (SILICOS-IT) : 2.290 |
| Consensus Log Po/w : 2.110 |