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2,3,4-13C3-17.beta.-Butyloxy-4-androsten-3-one
SpectraBase Compound ID Djheu7NTGeo
InChI InChI=1S/C23H36O2/c1-21(2,3)25-20-9-8-18-17-7-6-15-14-16(24)10-12-22(15,4)19(17)11-13-23(18,20)5/h14,17-20H,6-13H2,1-5H3/t17-,18-,19+,20-,22-,23-/m0/s1/i10+1,14+1,16+1
InChIKey ZQGPOSSXWUYOST-MZQQBQFTSA-N
Mol Weight 347.5 g/mol
Molecular Formula C2013C3H36O2
Exact Mass 347.281595 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KF0h5wMnCtt
Name 2,3,4-13C3-17.beta.-Butyloxy-4-androsten-3-one
Comments Original formula: C20[13C]3H36O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O2
InChI InChI=1S/C23H36O2/c1-21(2,3)25-20-9-8-18-17-7-6-15-14-16(24)10-12-22(15,4)19(17)11-13-23(18,20)5/h14,17-20H,6-13H2,1-5H3/t17-,18-,19+,20-,22-,23-/m0/s1/i10+1,14+1,16+1
InChIKey ZQGPOSSXWUYOST-MZQQBQFTSA-N
Molecular Weight 347.516 g/mol
SMILES [13CH]=1[13C]([13CH2]C[C@]2(C1CC[C@]1([C@@]3(CC[C@@]([C@]3(CC[C@@]21[H])C)(OC(C)(C)C)[H])[H])[H])C)=O
SPLASH splash10-0006-0290000000-d04cf0d788aab7d149f9
Source of Spectrum F-56-9973-9c
Wiley ID 859573