| Pubchem CID : 159970 |
| Molecular formula: C30H48O3 |
| Canonical SMILES : CC1(C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C |
Synonymes : Bryonolic acid|20-epi-Bryonolic acid|24480-45-3|(2s,4as,6as,8ar,10s,12as,14as,14br)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicene-2-carboxylic acid|J7YR6A878I|(2S-(2alpha,4aalpha,6aalpha,8abeta,10alpha,12aalpha,14abeta,14balpha))-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-Eicosahydro-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-2-picenecarboxylic acid|UNII-J7YR6A878I|BIO-ACTIVE BA|3beta-Hydroxy-D-C-friedoolean-8-en-29-oic acid|D:C-Friedoolean-8-en-29-oic acid, 3beta-hydroxy-|BRYONOLIC ACID [INCI]|SCHEMBL1404433|CHEBI:65846|DTXSID301021375|HY-N2965|AKOS032948610|(2S,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid|CS-0023599|E88943|Q27134339|D:C-Friedoolean-8-en-29-oic acid, 3-hydroxy-, (3beta,20beta)-|((2R,3R,4R)-3-(benzoyloxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl?benzoate|D:C-FRIEDOOLEAN-8-EN-29-OIC ACID, 3-HYDROXY-, (3.BETA.,20.BETA.)-|(2S-(2.ALPHA.,4A.ALPHA.,6A.ALPHA.,8A.BETA.,10.ALPHA.,12A.ALPHA.,14A.BETA.,14B.ALPHA.))-1,2,3,4,4A,5,6,6A,7,8,8A,9,10,11,12,12A,13,14,14A,14B-EICOSAHYDRO-10-HYDROXY-2,4A,6A,9,9,12A,14A-HEPTAMETHYL-2-PICENECARBOXYLIC ACID|2-PICENECARBOXYLIC ACID, 1,2,3,4,4A,5,6,6A,7,8,8A,9,10,11,12,12A,13,14,14A,14B-EICOSAHYDRO-10-HYDROXY-2,4A,6A,9,9,12A,14A-HEPTAMETHYL-, (2S,4AS,6AS,8AR,10S,12AS,14AS,14BR)-|26-NOROLEAN-8-EN-29-OIC ACID, 3-HYDROXY-13-METHYL-, (3.BETA.,13.ALPHA.,14.BETA.,20.BETA.)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.930 |
| Log Po/w (XLOGP3) : 7.190 |
| Log Po/w (WLOGP) : 7.380 |
| Log Po/w (MLOGP) : 5.820 |
| Log Po/w (SILICOS-IT) : 6.240 |
| Consensus Log Po/w : 6.110 |