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testosterone 17b-phenylpropionate trifluoroacetate
SpectraBase Compound ID JwAD67WnBR
InChI InChI=1S/C30H35F3O4/c1-28-16-14-21(36-27(35)30(31,32)33)18-20(28)9-10-22-23-11-12-25(29(23,2)17-15-24(22)28)37-26(34)13-8-19-6-4-3-5-7-19/h3-7,14,18,22-25H,8-13,15-17H2,1-2H3/t22-,23-,24-,25-,28-,29-/m0/s1
InChIKey JNNBSBIZWCSUFW-LMXVXWCUSA-N
Mol Weight 516.6 g/mol
Molecular Formula C30H35F3O4
Exact Mass 516.248744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BojdIkR3vAz
Name testosterone 17b-phenylpropionate trifluoroacetate
Alternate Name(s) (17beta)-3-[(2,2,2-trifluoroacetyl)oxy]androsta-2,4-dien-17-yl 3-phenylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H35F3O4
InChI InChI=1S/C30H35F3O4/c1-28-16-14-21(36-27(35)30(31,32)33)18-20(28)9-10-22-23-11-12-25(29(23,2)17-15-24(22)28)37-26(34)13-8-19-6-4-3-5-7-19/h3-7,14,18,22-25H,8-13,15-17H2,1-2H3/t22-,23-,24-,25-,28-,29-/m0/s1
InChIKey JNNBSBIZWCSUFW-LMXVXWCUSA-N
Molecular Weight 516.601 g/mol
SMILES [C@@]12(C(=CC(=CC2)OC(C(F)(F)F)=O)CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(OC(=O)CCc1ccccc1)[H])[H])[H])C
SPLASH splash10-0159-0901040000-bf2dc4aeb903e761d120
Source of Spectrum O-30-1400-0
Wiley ID 1401447