C0R
Summary
| Name: | CORTICOSTERONE |
| Synonyms: | (11-BETA)-11,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE |
| Formula: | C21 H30 O4 |
| Formal charge: | 0 |
| Formula weight: | 346.461 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (9beta,11alpha)-11,21-dihydroxypregn-4-ene-3,20-dione |
| OpenEye OEToolkits | 1.5.0 | (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(CO)C3C2(CC(O)C4C1(C(=CC(=O)CC1)CCC4C2CC3)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |
| SMILES | CACTVS | 3.341 | C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2C(=O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O |
| InChI | InChI | 1.03 | InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1 |
| InChIKey | InChI | 1.03 | OMFXVFTZEKFJBZ-HJTSIMOOSA-N |
