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5.beta.-Androstan-3-one, 17.beta.-hydroxy-, trifluoroacetate
SpectraBase Compound ID JDsa1LnZyCO
InChI InChI=1S/C21H29F3O3/c1-19-9-7-13(25)11-12(19)3-4-14-15-5-6-17(27-18(26)21(22,23)24)20(15,2)10-8-16(14)19/h12,14-17H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,19+,20+/m1/s1
InChIKey AYUZWLNATSWAPQ-VORONWKSSA-N
Mol Weight 386.46 g/mol
Molecular Formula C21H29F3O3
Exact Mass 386.206879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hg649Io0ZyT
Name 5.beta.-Androstan-3-one, 17.beta.-hydroxy-, trifluoroacetate
CAS Registry Number 2600-38-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29F3O3
InChI InChI=1S/C21H29F3O3/c1-19-9-7-13(25)11-12(19)3-4-14-15-5-6-17(27-18(26)21(22,23)24)20(15,2)10-8-16(14)19/h12,14-17H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,19+,20+/m1/s1
InChIKey AYUZWLNATSWAPQ-VORONWKSSA-N
Molecular Weight 386.455 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])[H])(CC[C@@]1(OC(C(F)(F)F)=O)[H])[H])C
SPLASH splash10-1003-9201000000-1de65516c98617773022
Source of Spectrum SD-1981-0-0
Synonyms (5beta,17beta)-3-oxoandrostan-17-yl trifluoroacetate
Wiley ID 1362638