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9,11-didechloro-13-demethylisodysidenin
SpectraBase Compound ID B4ZUAbjfNlz
InChI InChI=1S/C16H23Cl4N3O2S/c1-9(14(17)18)6-11(16(25)22-8-12-21-4-5-26-12)23(3)13(24)7-10(2)15(19)20/h4-5,9-11,14-15H,6-8H2,1-3H3,(H,22,25)/t9-,10-,11+/m0/s1
InChIKey UTMCZQWBPGZOMZ-GARJFASQSA-N
Mol Weight 463.3 g/mol
Molecular Formula C16H23Cl4N3O2S
Exact Mass 461.026509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8v8d5kz8yJf
Name 9,11-didechloro-13-demethylisodysidenin
Alternate Name(s) (2R,4S)-5,5-Dichloro-4-methyl-2-[methyl-(4',4'-dichloro-3'-methyl-1'-oxobutyl)amino]-N-(thiazol-2''-ylmethyl)pentanamide (4S)-5,5-dichloro-2-[[(3S)-4,4-dichloro-3-methylbutanoyl](methyl)amino]-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide 5,5-Dichloro-4-methyl-2-[methyl-(4',4'-dichloro-3'-methyl-1'-oxobutyl)amino]-N-(thiazol-2''-ylmethyl)pentanamide (2R,4S)-5,5-dichloro-2-[[(3S)-4,4-dichloro-3-methyl-1-oxobutyl]-methylamino]-4-methyl-N-(2-thiazolylmethyl)pentanamide (2R,4S)-5,5-dichloro-2-[[(3S)-4,4-dichloro-3-methylbutanoyl]-methylamino]-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide (2R,4S)-5,5-dichloro-2-[[(3S)-4,4-dichloro-3-methyl-butanoyl]-methyl-amino]-4-methyl-N-(thiazol-2-ylmethyl)pentanamide (2R,4S)-2-[[(3S)-4,4-bis(chloranyl)-3-methyl-butanoyl]-methyl-amino]-5,5-bis(chloranyl)-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
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Formula C16H23Cl4N3O2S
InChI InChI=1S/C16H23Cl4N3O2S/c1-9(14(17)18)6-11(16(25)22-8-12-21-4-5-26-12)23(3)13(24)7-10(2)15(19)20/h4-5,9-11,14-15H,6-8H2,1-3H3,(H,22,25)/t9-,10-,11+/m0/s1
InChIKey UTMCZQWBPGZOMZ-GARJFASQSA-N
Molecular Weight 463.251 g/mol
SMILES N(C([C@](N(C(C[C@@](C(Cl)Cl)(C)[H])=O)C)(C[C@@](C(Cl)Cl)(C)[H])[H])=O)Cc1nccs1
SPLASH splash10-01b9-0904100000-d118125262aa812aa3fb
Source of Spectrum JA-50-139-0
Wiley ID 1390728