methyl rel-(4aR,7R,10aR,12aR)-7,10a-dimethyl-1,4-dioxo-13-(propan-2-yl)hexadecahydro-1H-4b,12-ethenochrysene-7-carboxylate
Chemical Structure Depiction of
methyl rel-(4aR,7R,10aR,12aR)-7,10a-dimethyl-1,4-dioxo-13-(propan-2-yl)hexadecahydro-1H-4b,12-ethenochrysene-7-carboxylate
methyl rel-(4aR,7R,10aR,12aR)-7,10a-dimethyl-1,4-dioxo-13-(propan-2-yl)hexadecahydro-1H-4b,12-ethenochrysene-7-carboxylate
Compound characteristics
| Compound ID: | N075-0014 |
| Compound Name: | methyl rel-(4aR,7R,10aR,12aR)-7,10a-dimethyl-1,4-dioxo-13-(propan-2-yl)hexadecahydro-1H-4b,12-ethenochrysene-7-carboxylate |
| Molecular Weight: | 426.6 |
| Molecular Formula: | C27 H38 O4 |
| Smiles: | [H][C@]12C3CC4C(CCC5[C@]4(C)CCC[C@@]5(C)C(=O)OC)(C=C3C(C)C)[C@]2([H])C(CCC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5268 |
| logD: | 4.5268 |
| logSw: | -4.721 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.783 |
| InChI Key: | DCGMIQMNIOQACA-CLRDLHPPSA-N |