| SpectraBase Spectrum ID |
8GdWYJAaJw8 |
| Name |
Ethinylestradiol 2TMS |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
440.256683596 u |
| Formula |
C26H40O2Si2 |
| InChI |
InChI=1S/C26H40O2Si2/c1-9-26(28-30(6,7)8)17-15-24-23-12-10-19-18-20(27-29(3,4)5)11-13-21(19)22(23)14-16-25(24,26)2/h1,11,13,18,22-24H,10,12,14-17H2,2-8H3/t22-,23-,24+,25+,26+/m1/s1 |
| InChIKey |
JERDCJZDIHZFGT-JMTTVTNBSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
440.774 g/mol |
| Nominal Mass |
440 u |
| Quality |
936 |
| Retention Index |
3293 |
| SMILES |
[C@]12([C@]3([C@@](C4=C(CC3)C=C(C=C4)O[Si](C)(C)C)(CC[C@@]2([C@](CC1)(O[Si](C)(C)C)C#C)C)[H])[H])[H] |
| SPLASH |
splash10-00b9-4492300000-1996c25c4f4b125101c8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ethynyl estradiol 2TMS
Ethynylestradiol 2TMS
(((1R,3aS,3bR,9bS,11aS)-1-ethynyl-11a-methyl-1-((trimethylsilyl)oxy)-2,3,3a,3b,4,5,9b,10,11,11a-\rdecahydro-1H-cyclopenta[a]phenanthren-7-yl)oxy)(trimethyl)silane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015169 |
