化工社化工社 化学情報印刷レポート · 研究参考用
3-(Dimethylamino)-6-hydroxy-6-(prop-1-yn-1-yl)-5,7,8,8a,8b,9,10,13,14,14a,14b,15-dodecahydro-5a,15-methanobenzo[6,7]cyclopenta[3,4]cycloocta[1,2-a]naphthalen-12(6H)-one
4'-(dimethylamino)-17-hydroxy-17-(1-propynyl)benzo(12,12a)-11,18-cyclo-12a,12b-dihomo-estr-4-en-3-one · 5a,15-Methano-5aH-benzo[6,7]cyclopenta[3,4]cycloocta[1,2-a]naphthalen-12(6H)-one, 3-(dimethylamino)-5,7,8,8a,8b,9,10,13,14,14a,14b,15-dodecahydro-6-hydroxy-6-(1-propynyl)-, [5aR-(5aα,6β,8aα,8bβ,14aβ,14bα,15α)]- (9CI)
![3-(Dimethylamino)-6-hydroxy-6-(prop-1-yn-1-yl)-5,7,8,8a,8b,9,10,13,14,14a,14b,15-dodecahydro-5a,15-methanobenzo[6,7]cyclopenta[3,4]cycloocta[1,2-a]naphthalen-12(6H)-one の分子構造式](/img/chemical/190836.png)
識別子と物理属性
| CAS No. | 156383-09-4 |
|---|---|
| 分子式 | C29H35NO2 |
| 平均分子量 | 429.604 g/mol |
| 単同位体質量 | 429.26677936 g/mol |
| SMILES | CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@H]3CC21Cc1cc(N(C)C)ccc13 |
| InChIKey | QXJZBUFGFSWMLW-AOGGWWGWSA-N |
| PubChem CID | 190836 |
| DTXSID | DTXSID90935433 |
化学・物理的性質
| 沸点 | 643.103±55.00 °C(Press: 760.00 Torr)(predicted) |
|---|---|
| 密度 | 1.224±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa（酸解離定数） | 13.027±0.20(predicted) |