| Phytochemical Name : Rosmanol |
| PCNDIDR0037 |
| Pubchem CID : 13966122 |
| Molecular formula: C20H26O5 |
| Canonical SMILES : CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)O)O)O |
Synonymes : Rosmanol|80225-53-2|(4bR,8aS,9S,10S)-3,4,10-Trihydroxy-2-isopropyl-8,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epoxymethano)phenanthren-12-one|UNII-F25TV383OC|F25TV383OC|2H-10,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6,9-trihydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,9S,10S,10aS)-|2H-10,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6,9-trihydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4ar-(4aalpha,9beta,10alpha,10abeta))-|SCHEMBL459610|CHEMBL507166|DTXSID80553423|(1R,8S,9S,10S)-3,4,8-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one|HY-N5015|AKOS016004074|AC-34511|MS-25326|CS-0032078|D85077|Q27277536|(6beta,7alpha)-7,11,12-Trihydroxy-6,20-epoxyabieta-8(14),9(11),12-trien-20-one|2H-10,4A-(EPOXYMETHANO)PHENANTHREN-12-ONE, 1,3,4,9,10,10A-HEXAHYDRO-5,6,9-TRIHYDROXY-1,1-DIMETHYL-7-(1-METHYLETHYL)-, (4AR-(4A.ALPHA.,9.BETA.,10.ALPHA.,10A.BETA.))-|33985-86-3 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.500 |
| Log Po/w (XLOGP3) : 3.410 |
| Log Po/w (WLOGP) : 2.930 |
| Log Po/w (MLOGP) : 2.420 |
| Log Po/w (SILICOS-IT) : 3.160 |
| Consensus Log Po/w : 2.880 |