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(Z)-16-[(Benzylamino)methylene]-5.alpha.-androstane-3.beta.,17.beta.-diol
SpectraBase Compound ID 56ujCQWVvYQ
InChI InChI=1S/C27H39NO2/c1-26-12-10-21(29)15-20(26)8-9-22-23(26)11-13-27(2)24(22)14-19(25(27)30)17-28-16-18-6-4-3-5-7-18/h3-7,17,20-25,28-30H,8-16H2,1-2H3/b19-17-/t20-,21-,22+,23-,24-,25-,26-,27-/m0/s1
InChIKey INJHXODRICRTNZ-VEVMNQGRSA-N
Mol Weight 409.6 g/mol
Molecular Formula C27H39NO2
Exact Mass 409.298079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZeUwgD1hfg
Name (Z)-16-[(Benzylamino)methylene]-5.alpha.-androstane-3.beta.,17.beta.-diol
CAS Registry Number 137056-71-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H39NO2
InChI InChI=1S/C27H39NO2/c1-26-12-10-21(29)15-20(26)8-9-22-23(26)11-13-27(2)24(22)14-19(25(27)30)17-28-16-18-6-4-3-5-7-18/h3-7,17,20-25,28-30H,8-16H2,1-2H3/b19-17-/t20-,21-,22+,23-,24-,25-,26-,27-/m0/s1
InChIKey INJHXODRICRTNZ-VEVMNQGRSA-N
Molecular Weight 409.614 g/mol
SMILES O[C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](C[C@@]4(CC[C@]3([C@@]2(C\C1=C\NCc1ccccc1)[H])[H])[H])(O)[H])C)[H])C)[H]
SPLASH splash10-0udl-0009000000-89fe378b3b33b1986148
Source of Spectrum U-1992-192-0
Synonyms (3beta,5alpha,17beta)-16-[(benzylamino)methylene]androstane-3,17-diol
Wiley ID 763911