| SpectraBase Spectrum ID |
KBkko7ppBZm |
| Name |
17.alpha.[2-(2,5,5-Trimethylpyrrolidin-2-yl)ethyn-1-yl]estra-1,3,5(10)-triene-3,17.beta.-diol radical |
| Alternate Name(s) |
17.alpha.[2-(2,5,5-Trimethylpyrrolidin-2-yl)ethyn-1-yl]estra-1,3,5(10)-triene-3,17.beta.-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H37NO2 |
| InChI |
InChI=1S/C27H37NO2/c1-24(2)13-14-25(3,28-24)15-16-27(30)12-10-23-22-7-5-18-17-19(29)6-8-20(18)21(22)9-11-26(23,27)4/h6,8,17,21-23,28-30H,5,7,9-14H2,1-4H3/t21?,22?,23?,25?,26?,27-/m1/s1 |
| InChIKey |
ZZKXHMSEPQYRBA-GIOBAOTGSA-N |
| Molecular Weight |
407.598 g/mol |
| SMILES |
Oc1ccc2c(CCC3C4C([C@](C#CC5(NC(CC5)(C)C)C)(CC4)O)(CCC23)C)c1 |
| SPLASH |
splash10-0006-9002000000-4b778ef574b00400432c |
| Source of Spectrum |
SO-0-1045-21 |
| Wiley ID |
876708 |
![17.alpha.[2-(2,5,5-Trimethylpyrrolidin-2-yl)ethyn-1-yl]estra-1,3,5(10)-triene-3,17.beta.-diol radical](/api/spectrum/KBkko7ppBZm/structure.png?h=300&w=458 "17.alpha.[2-(2,5,5-Trimethylpyrrolidin-2-yl)ethyn-1-yl]estra-1,3,5(10)-triene-3,17.beta.-diol radical")
