R18
Summary
| Name: | (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE |
| Synonyms: | METHYLTRIENOLONE 17BETA-HYDROXY-17METHYL-19NORANDROSTA-4,9,11-TRIEN-3-ONE; R1881 |
| Formula: | C19 H24 O2 |
| Formal charge: | 0 |
| Formula weight: | 284.393 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (17beta)-17-hydroxy-17-methylestra-4,9,11-trien-3-one |
| OpenEye OEToolkits | 1.5.0 | (8S,13S,14S,17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C4C=C3C(=C2C=CC1(C(CCC1(O)C)C2CC3)C)CC4 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |
| SMILES | CACTVS | 3.341 | C[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CCC4=C3C=C[C]12C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)C)O |
| InChI | InChI | 1.03 | InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1 |
| InChIKey | InChI | 1.03 | CCCIJQPRIXGQOE-XWSJACJDSA-N |
