rel-(4aR,7R,10aR,12aR)-7,10a-dimethyl-1,4-dioxo-13-(propan-2-yl)hexadecahydro-1H-4b,12-ethenochrysene-7-carboxylic acid
Chemical Structure Depiction of
rel-(4aR,7R,10aR,12aR)-7,10a-dimethyl-1,4-dioxo-13-(propan-2-yl)hexadecahydro-1H-4b,12-ethenochrysene-7-carboxylic acid
rel-(4aR,7R,10aR,12aR)-7,10a-dimethyl-1,4-dioxo-13-(propan-2-yl)hexadecahydro-1H-4b,12-ethenochrysene-7-carboxylic acid
Compound characteristics
| Compound ID: | N075-0013 |
| Compound Name: | rel-(4aR,7R,10aR,12aR)-7,10a-dimethyl-1,4-dioxo-13-(propan-2-yl)hexadecahydro-1H-4b,12-ethenochrysene-7-carboxylic acid |
| Molecular Weight: | 412.57 |
| Molecular Formula: | C26 H36 O4 |
| Smiles: | [H][C@]12C3CC4C(CCC5[C@]4(C)CCC[C@@]5(C)C(O)=O)(C=C3C(C)C)[C@]2([H])C(CCC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8353 |
| logD: | 1.5423 |
| logSw: | -4.3774 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.017 |
| InChI Key: | JPGGQHZUOUAFHK-WGTHESQLSA-N |