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3beta-Hydroxy-5alpha-androst-1-en-17-one TFA
SpectraBase Compound ID BKPnJKahDiT
InChI InChI=1S/C21H27F3O3/c1-19-9-7-13(27-18(26)21(22,23)24)11-12(19)3-4-14-15-5-6-17(25)20(15,2)10-8-16(14)19/h7,9,12-16H,3-6,8,10-11H2,1-2H3/t12-,13-,14?,15?,16?,19-,20-/m0/s1
InChIKey YYJDMGLZVFHUDQ-YZBBSTTPSA-N
Mol Weight 384.44 g/mol
Molecular Formula C21H27F3O3
Exact Mass 384.191229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dl8XqoKQnMu
Name 3-beta-Hydroxy-5-alpha-androst-1-en-17-one TFA
Classification Designer steroid derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 384.191229215 u
Formula C21H27F3O3
InChI InChI=1S/C21H27F3O3/c1-19-9-7-13(27-18(26)21(22,23)24)11-12(19)3-4-14-15-5-6-17(25)20(15,2)10-8-16(14)19/h7,9,12-16H,3-6,8,10-11H2,1-2H3/t12-,13-,14?,15?,16?,19-,20-/m0/s1
InChIKey YYJDMGLZVFHUDQ-YZBBSTTPSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 384.439 g/mol
Nominal Mass 384 u
Quality 998
Retention Index 2295
SMILES [C@]12([C@@](CCC3C2CC[C@]2(C3CCC2=O)C)(C[C@](C=C1)(OC(C(F)(F)F)=O)[H])[H])C
SPLASH splash10-0abc-4920000000-1329c2558c1be1824bdf
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3beta-Hydroxy-5alpha-androst-1-en-17-one TFA (5aS,7R,9aR,11aS)-9a,11a-dimethyl-1-oxo-2,3,3a,3b,4,5,5a,6,7,9a,9b,10,11,11a-\rtetradecahydro-1H-cyclopenta[a]phenanthren-7-yl trifluoroacetate
Technique GC/MS
Wiley ID DD2024_011524