| Phytochemical Name : Nardostachin |
| PCNDIDN0023 |
| Pubchem CID : 196699 |
| Molecular formula: C20H32O6 |
| Canonical SMILES : CC1C(CC2C1C(OC=C2COC(=O)CC(C)C)OC(=O)CC(C)C)O |
Synonymes : Nardostachin|114687-82-0|(-)-Nardostachin|Butanoic acid, 3-methyl-, (1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta(c)pyran-4-yl)methyl ester, (1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha))-|Butanoic acid, 3-methyl-, [1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl ester, [1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha)]-|Nardostachin, (-)-|EGX9ZFG846|[(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-(3-methylbutanoyloxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate|DTXSID80150830|[(1S,4aS,6S,7R,7aS)-1,4a,5,6,7,7a-Hexahydro-6-hydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate|Butanoic acid, 3-methyl-, [(1S,4aS,6S,7R,7aS)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl ester |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.960 |
| Log Po/w (XLOGP3) : 2.980 |
| Log Po/w (WLOGP) : 3.040 |
| Log Po/w (MLOGP) : 2.380 |
| Log Po/w (SILICOS-IT) : 2.740 |
| Consensus Log Po/w : 3.020 |

