methyl 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-carboxylate
Chemical Structure Depiction of
methyl 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-carboxylate
methyl 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-carboxylate
Compound characteristics
| Compound ID: | N075-0017 |
| Compound Name: | methyl 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-carboxylate |
| Molecular Weight: | 459.03 |
| Molecular Formula: | C27 H35 Cl O4 |
| Smiles: | CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(=O)OC)C3CC1C1C2C(C(=CC1=O)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1236 |
| logD: | 5.1236 |
| logSw: | -5.5344 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.681 |
| InChI Key: | RBMXOEUCEBPGAY-VCSKWUTHSA-N |