(10R,13S,17S)-17-Hydroxy-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL67934 | |
| PubChem: | 5701998 | |
| IUPAC: | (10R,13S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | |
| Standard InChI: | InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14?,15?,16?,17-,18-,19-/m0/s1 | |
| Standard InChI Key: | MUMGGOZAMZWBJJ-PPORCNLBSA-N | |
| SMILES: | O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@@H]2O)C)C | |
Molecular propeties
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| AlogP: | 3.88 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 4 | |
| Molecular Weight: | 288.21 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.842 | |
| Number of carbons: | 19 | |