UQC
Summary
| Name: | Cortisone |
| Synonyms: | (8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione 17alpha,21-Dihydroxypregn-4-ene-3,11,20-trione |
| Formula: | C21 H28 O5 |
| Formal charge: | 0 |
| Formula weight: | 360.444 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (8~{S},9~{S},10~{R},13~{S},14~{S},17~{R})-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 |
| InChIKey | InChI | 1.06 | MFYSYFVPBJMHGN-ZPOLXVRWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@H]23 |
| SMILES | CACTVS | 3.385 | C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)CO)[C]4(C)CC(=O)[CH]23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C |
