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1-[(4R,5R,6S)-5-Acetyl-4-hydroxy-4-methyl-6-(3-nitro-phenyl)-2-phenylamino-cyclohex-1-enyl]-ethanone
SpectraBase Compound ID 8oIurong9Ad
InChI InChI=1S/C23H24N2O5/c1-14(26)20-19(24-17-9-5-4-6-10-17)13-23(3,28)22(15(2)27)21(20)16-8-7-11-18(12-16)25(29)30/h4-12,21-22,24,28H,13H2,1-3H3/t21-,22+,23+/m0/s1
InChIKey SOFQDKJAFYYOQT-YTFSRNRJSA-N
Mol Weight 408.45 g/mol
Molecular Formula C23H24N2O5
Exact Mass 408.168522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ONrWuJSoKJ
Name 1-[(4R,5R,6S)-5-Acetyl-4-hydroxy-4-methyl-6-(3-nitro-phenyl)-2-phenylamino-cyclohex-1-enyl]-ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24N2O5
InChI InChI=1S/C23H24N2O5/c1-14(26)20-19(24-17-9-5-4-6-10-17)13-23(3,28)22(15(2)27)21(20)16-8-7-11-18(12-16)25(29)30/h4-12,21-22,24,28H,13H2,1-3H3/t21-,22+,23+/m0/s1
InChIKey SOFQDKJAFYYOQT-YTFSRNRJSA-N
Molecular Weight 408.454 g/mol
SMILES O[C@]1([C@@]([C@](C(=C(C1)Nc1ccccc1)C(=O)C)(c1cc(N(=O)=O)ccc1)[H])(C(=O)C)[H])C
SPLASH splash10-0006-9100000000-a435db588f92d7ebdecf
Source of Spectrum D8-327-293-6
Synonyms 1-[(1R,2S,6R)-3-acetyl-4-anilino-6-hydroxy-6-methyl-2-(3-nitrophenyl)-3-cyclohexen-1-yl]ethanone 1-[3'-Acetyl-6'-hydroxy-6-methyl-4'-anilino-2'-(3''-nitrophenyl)cyclohex-3'-enyl]-ethanone
Wiley ID 1515205