A1H2U
Summary
| Name: | (3~{Z},8~{R},9~{S},10~{R},13~{S},14~{S},17~{R})-3-hydroxyimino-10,13-dimethyl-17-(pyridin-2-ylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1~{H}-cyclopenta[a]phenanthren-17-ol |
| Synonyms: | 17beta-Hydroxy-17alpha-picolyl-androst-4-en-(3Z)-one oxime |
| Formula: | C25 H34 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 394.55 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{Z},8~{R},9~{S},10~{R},13~{S},14~{S},17~{R})-3-hydroxyimino-10,13-dimethyl-17-(pyridin-2-ylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1~{H}-cyclopenta[a]phenanthren-17-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H34N2O2/c1-23-11-8-18(27-29)15-17(23)6-7-20-21(23)9-12-24(2)22(20)10-13-25(24,28)16-19-5-3-4-14-26-19/h3-5,14-15,20-22,28-29H,6-13,16H2,1-2H3/b27-18-/t20-,21+,22+,23+,24+,25-/m1/s1 |
| InChIKey | InChI | 1.06 | OXDFJJOYBOXYDL-DUXFNIGSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]12CCC(/C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)Cc5ccccn5)=N/O |
| SMILES | CACTVS | 3.385 | C[C]12CCC(C=C1CC[CH]3[CH]2CC[C]4(C)[CH]3CC[C]4(O)Cc5ccccn5)=NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]12CC/C(=N/O)/C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(Cc5ccccn5)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC12CCC(=NO)C=C1CCC3C2CCC4(C3CCC4(Cc5ccccn5)O)C |
