| PDB CCD ID: | 6VW |
| Number of entries in BioLiP: | 1 |
| 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/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1 |
| InChIKey: | NPAGDVCDWIYMMC-IZPLOLCNSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O | | CACTVS 3.385 | C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[CH]2O | | OpenEye OEToolkits 2.0.5 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34 | | OpenEye OEToolkits 2.0.5 | CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34 |
|
| Name: | (8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclop enta[a]phenanthren-3-one;
19-nortestosterone |
| ChEMBL: | CHEMBL757 |
| DrugBank: | DB13169 |
| ZINC: | ZINC000003814379 |
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