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6-Chloro-4-azacholesta-1,5-dien-3-one
SpectraBase Compound ID LjGoghTA3l3
InChI InChI=1S/C26H40ClNO/c1-16(2)7-6-8-17(3)19-9-10-20-18-15-22(27)24-26(5,14-12-23(29)28-24)21(18)11-13-25(19,20)4/h12,14,16-21H,6-11,13,15H2,1-5H3,(H,28,29)/t17-,18+,19-,20+,21+,25-,26-/m1/s1
InChIKey LXDOAVAEYIJWRY-OJGZTUPUSA-N
Mol Weight 418.1 g/mol
Molecular Formula C26H40ClNO
Exact Mass 417.279843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQ1tVxaULcy
Name 6-Chloro-4-azacholesta-1,5-dien-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40ClNO
InChI InChI=1S/C26H40ClNO/c1-16(2)7-6-8-17(3)19-9-10-20-18-15-22(27)24-26(5,14-12-23(29)28-24)21(18)11-13-25(19,20)4/h12,14,16-21H,6-11,13,15H2,1-5H3,(H,28,29)/t17-,18+,19-,20+,21+,25-,26-/m1/s1
InChIKey LXDOAVAEYIJWRY-OJGZTUPUSA-N
Molecular Weight 418.065 g/mol
SMILES N1C(C=C[C@]2(C1=C(C[C@@]1([C@@]2(CC[C@@]2([C@](CC[C@@]12[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])Cl)C)=O
SPLASH splash10-00kf-9000800000-0aff9647e57c43667643
Source of Spectrum I-69-1485-10
Synonyms (4aR,4bS,6aR,7R,9aS,9bS)-11-chloro-7-[(1R)-1,5-dimethylhexyl]-4a,6a-dimethyl-1,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydro-2H-indeno[5,4-f]quinolin-2-one
Wiley ID 1376907