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4-Azachlolest-5,7-dien-3-one
SpectraBase Compound ID 4yZp0C5msBk
InChI InChI=1S/C26H41NO/c1-17(2)7-6-8-18(3)20-10-11-21-19-9-12-23-26(5,16-14-24(28)27-23)22(19)13-15-25(20,21)4/h9,12,17-18,20-22H,6-8,10-11,13-16H2,1-5H3,(H,27,28)/t18-,20-,21+,22+,25-,26-/m1/s1
InChIKey ZFAQQAYOXNZIPN-KHFBKJOISA-N
Mol Weight 383.6 g/mol
Molecular Formula C26H41NO
Exact Mass 383.318815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8p9KGjxuic
Name 4-Azachlolest-5,7-dien-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C26H41NO
InChI InChI=1S/C26H41NO/c1-17(2)7-6-8-18(3)20-10-11-21-19-9-12-23-26(5,16-14-24(28)27-23)22(19)13-15-25(20,21)4/h9,12,17-18,20-22H,6-8,10-11,13-16H2,1-5H3,(H,27,28)/t18-,20-,21+,22+,25-,26-/m1/s1
InChIKey ZFAQQAYOXNZIPN-KHFBKJOISA-N
Molecular Weight 383.620 g/mol
SMILES N1C(CC[C@@]2([C@]3(CC[C@]4([C@](C3=CC=C12)(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)=O
SPLASH splash10-001i-0009000000-f3325f095222d218ef88
Source of Spectrum F-52-14063-3
Synonyms (4aR,4bS,6aR,7R,9aR)-7-[(1R)-1,5-dimethylhexyl]-4a,6a-dimethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a-dodecahydro-2H-indeno[5,4-f]quinolin-2-one 4-Azachlolest-5-en-3-one
Wiley ID 799536