17H
概要
| 表記: | 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE |
| 組成式: | C21 H28 O2 |
| 電荷: | 0 |
| 化学式量: | 312.446 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | (8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C4C=C3C(=C2C=CC1(C(CCC1(O)CC)C2CC3)CC)CC4 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12CC |
| SMILES | CACTVS | 3.341 | CC[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CCC4=C3C=C[C]12CC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)CC)O |
| InChI | InChI | 1.03 | InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1 |
| InChIKey | InChI | 1.03 | OXHNQTSIKGHVBH-ANULTFPQSA-N |
