A1IV6
Summary
| Name: | 1-[(8R,9S,13S,14S,17S)-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]ethanone |
| Formula: | C20 H26 O2 |
| Formal charge: | 0 |
| Formula weight: | 298.419 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H26O2/c1-12(21)13-3-5-15-14(11-13)4-6-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h3,5,11,16-19,22H,4,6-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1 |
| InChIKey | InChI | 1.06 | LURXOLBKAUTYIC-SLHNCBLASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2c1 |
| SMILES | CACTVS | 3.385 | CC(=O)c1ccc2[CH]3CC[C]4(C)[CH](O)CC[CH]4[CH]3CCc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)c1ccc2c(c1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)c1ccc2c(c1)CCC3C2CCC4(C3CCC4O)C |
