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N-benzyl-16-aza-5.alpha.-androstane
SpectraBase Compound ID 3L7cbTeaURL
InChI InChI=1S/C25H37N/c1-24-15-13-22-21(12-11-20-10-6-7-14-25(20,22)2)23(24)17-26(18-24)16-19-8-4-3-5-9-19/h3-5,8-9,20-23H,6-7,10-18H2,1-2H3/t20-,21-,22+,23+,24-,25+/m1/s1
InChIKey KEAMQBUMXHGUPD-LUXCBIKGSA-N
Mol Weight 351.6 g/mol
Molecular Formula C25H37N
Exact Mass 351.2926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IROvrrH313P
Name N-benzyl-16-aza-5.alpha.-androstane
CAS Registry Number 96034-29-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H37N
InChI InChI=1S/C25H37N/c1-24-15-13-22-21(12-11-20-10-6-7-14-25(20,22)2)23(24)17-26(18-24)16-19-8-4-3-5-9-19/h3-5,8-9,20-23H,6-7,10-18H2,1-2H3/t20-,21-,22+,23+,24-,25+/m1/s1
InChIKey KEAMQBUMXHGUPD-LUXCBIKGSA-N
Molecular Weight 351.578 g/mol
SMILES [C@]12([C@]([C@@]3(CN(Cc4ccccc4)C[C@]3(CC1)C)[H])(CC[C@@]1([C@]2(C)CCCC1)[H])[H])[H]
SPLASH splash10-0ikc-6908000000-6b4dea97582567bd3afe
Source of Spectrum J-55-2176-52
Synonyms (3aS,3bR,5aR,9aS,9bS,11aS)-2-benzyl-9a,11a-dimethylhexadecahydro-1H-naphtho[2,1-e]isoindole
Wiley ID 1342801