| PDB CCD ID: | ESR |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C18 H26 O2 |
| InChI: | InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-16H,2-10H2,1H3/t11-,13-,14+,15+,16-,18-/m0/s1 |
| InChIKey: | CRDKSBHJIGNEOH-IMRIKWHGSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=C4CC3CCC2C1CCC(=O)C1(C)CCC2C3CC4 | | CACTVS 3.341 | C[C@]12CC[C@@H]3[C@H]4CCC(=O)C[C@@H]4CC[C@H]3[C@@H]1CCC2=O | | OpenEye OEToolkits 1.5.0 | CC12CCC3C(C1CCC2=O)CCC4C3CCC(=O)C4 | | OpenEye OEToolkits 1.5.0 | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@H]3CCC(=O)C4 | | CACTVS 3.341 | C[C]12CC[CH]3[CH]4CCC(=O)C[CH]4CC[CH]3[CH]1CCC2=O |
|
| Name: | 5-ALPHA-ESTRAN-3,17-DIONE;
(13S)-13-METHYLDODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3,17(2H,4H)-DIONE |
| DrugBank: | DB04693 |
| ZINC: | ZINC000006067856 |
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