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Androst-5-en-19-al, 3.alpha.-fluoro-17.beta.-hydroxy-, acetate
SpectraBase Compound ID 47Fz5u5ZBeD
InChI InChI=1S/C21H29FO3/c1-13(24)25-19-6-5-17-16-4-3-14-11-15(22)7-10-21(14,12-23)18(16)8-9-20(17,19)2/h3,12,15-19H,4-11H2,1-2H3/t15?,16?,17?,18?,19?,20-,21+/m0/s1
InChIKey NBSVVIQHMIHLFR-OYZZJKLHSA-N
Mol Weight 348.46 g/mol
Molecular Formula C21H29FO3
Exact Mass 348.210073 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62CnYf1EAZM
Name Androst-5-en-19-al, 3.alpha.-fluoro-17.beta.-hydroxy-, acetate
CAS Registry Number 28344-68-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29FO3
InChI InChI=1S/C21H29FO3/c1-13(24)25-19-6-5-17-16-4-3-14-11-15(22)7-10-21(14,12-23)18(16)8-9-20(17,19)2/h3,12,15-19H,4-11H2,1-2H3/t15?,16?,17?,18?,19?,20-,21+/m0/s1
InChIKey NBSVVIQHMIHLFR-OYZZJKLHSA-N
Molecular Weight 348.458 g/mol
SMILES [C@]12(C(=CCC3C4CCC([C@]4(CCC23)C)OC(=O)C)CC(CC1)F)C=O
SPLASH splash10-0cdi-0496000000-0c680827623ded2486e9
Source of Spectrum O-4-354-5
Synonyms Androst-5-en-19-al, 17-(acetyloxy)-3-fluoro-, (3.beta.,17.beta.)- 3-Fluoro-19-oxoandrost-5-en-17-yl acetate 3.alpha.-fluoro-17.beta.-acetoxy-19-oxo-androst-5-ene 3.beta.-fluoro-17.beta.-acetoxy-19-formylandrost-5-ene 3.alpha.-fluoro-19-keto-17.beta.-acetoxy androst-5-ene 3.beta.-fluoro-19-keto-17.beta.-acetoxy androst-5-ene Androst-5-en-19-al, 17-(acetyloxy)-3-fluoro-, (3beta,17beta)- Androst-5-en-19-al, 3.beta.-fluoro-17.beta.-hydroxy-, acetate
Wiley ID 1340798