UDJ
Summary
| Name: | (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one |
| Formula: | C24 H31 N O |
| Formal charge: | 0 |
| Formula weight: | 349.509 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one |
| OpenEye OEToolkits | 2.0.7 | (5~{S},8~{R},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-17-pyridin-3-yl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccncc1C=4C3(CCC5C2(CCC(=O)CC2CCC5C3CC=4)C)C |
| InChI | InChI | 1.03 | InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17,19,21-22H,5-6,8-12,14H2,1-2H3/t17-,19-,21-,22-,23-,24+/m0/s1 |
| InChIKey | InChI | 1.03 | FKNZCFYWNHCQGE-IRMBCWQZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC=C4c5cccnc5 |
| SMILES | CACTVS | 3.385 | C[C]12CCC(=O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CC=C4c5cccnc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC12CCC(=O)CC1CCC3C2CCC4(C3CC=C4c5cccnc5)C |
