SpectraBase Spectrum ID |
2Ilh0wpuim |
Name |
Norgestrel 2TMS |
Classification |
Pharmaceutical drug derivative |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
456.287983725 u |
Formula |
C27H44O2Si2 |
InChI |
InChI=1S/C27H44O2Si2/c1-9-26-17-15-23-22-14-12-21(28-30(3,4)5)19-20(22)11-13-24(23)25(26)16-18-27(26,10-2)29-31(6,7)8/h2,12,19,22-25H,9,11,13-18H2,1,3-8H3/t22-,23+,24+,25-,26-,27-/m0/s1 |
InChIKey |
RZJZBHOGHWOHGR-AKCFYGDASA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
456.817 g/mol |
Nominal Mass |
456 u |
Quality |
930 |
Retention Index |
3435 |
SMILES |
[C@]12([C@]3([C@@]([C@@]4(C(CC3)=CC(=CC4)O[Si](C)(C)C)[H])(CC[C@@]2([C@](CC1)(O[Si](C)(C)C)C#C)CC)[H])[H])[H] |
SPLASH |
splash10-0avi-8967600000-cc26ab945ce6182b49c0 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
17alpha-Ethynyl-18-methyl-19-nortestosterone 2TMS
(((1R,3aS,3bR,9aR,9bS,11aS)-11a-ethyl-1-ethynyl-1-((trimethylsilyl)oxy)-2,3,3a,3b,4,5,9,9a,9b,\r10,11,11a-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl)oxy)(trimethyl)silane |
Technique |
GC/MS |
Wiley ID |
DD2024_015177 |