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Norgestrel 2TMS
SpectraBase Compound ID CiDbeqPCGhr
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
Mol Weight 456.8 g/mol
Molecular Formula C27H44O2Si2
Exact Mass 456.287984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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