rel-(7R,10aR)-3-chloro-7,10a-dimethyl-1,4-dioxo-13-(propan-2-yl)-4,4a,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-4b,12-ethenochrysene-7-carboxylic acid
Chemical Structure Depiction of
rel-(7R,10aR)-3-chloro-7,10a-dimethyl-1,4-dioxo-13-(propan-2-yl)-4,4a,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-4b,12-ethenochrysene-7-carboxylic acid
rel-(7R,10aR)-3-chloro-7,10a-dimethyl-1,4-dioxo-13-(propan-2-yl)-4,4a,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-4b,12-ethenochrysene-7-carboxylic acid
Compound characteristics
| Compound ID: | N075-0015 |
| Compound Name: | rel-(7R,10aR)-3-chloro-7,10a-dimethyl-1,4-dioxo-13-(propan-2-yl)-4,4a,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-4b,12-ethenochrysene-7-carboxylic acid |
| Molecular Weight: | 445 |
| Molecular Formula: | C26 H33 Cl O4 |
| Smiles: | CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C3CC1C1C2C(C(=CC1=O)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.432 |
| logD: | 2.1391 |
| logSw: | -4.4621 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.916 |
| InChI Key: | SPFVAJHKNXOOSR-ZBDCTOLISA-N |