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CHABAMIDE-H
SpectraBase Compound ID 7kEGWPEjWjJ
InChI InChI=1S/C31H36N2O6/c1-19(2)16-32-30(34)29-22(20-6-10-24-26(14-20)38-17-36-24)8-9-23(31(35)33-12-4-3-5-13-33)28(29)21-7-11-25-27(15-21)39-18-37-25/h6-11,14-15,19,22-23,28-29H,3-5,12-13,16-18H2,1-2H3,(H,32,34)/t22-,23-,28-,29-/m1/s1
InChIKey ZZNJMZOPONKQDU-JQDNXDNNSA-N
Mol Weight 532.6 g/mol
Molecular Formula C31H36N2O6
Exact Mass 532.257337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApuUkJe2cH0
Name (1R,2S,5R,6S)-2,6-Bis-benzo[1,3]dioxol-5-yl-5-(piperidine-1-carbonyl)-cyclohex-3-enecarboxylic acid isobutyl-amide
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Formula C31H36N2O6
InChI InChI=1S/C31H36N2O6/c1-19(2)16-32-30(34)29-22(20-6-10-24-26(14-20)38-17-36-24)8-9-23(31(35)33-12-4-3-5-13-33)28(29)21-7-11-25-27(15-21)39-18-37-25/h6-11,14-15,19,22-23,28-29H,3-5,12-13,16-18H2,1-2H3,(H,32,34)/t22-,23-,28-,29-/m1/s1
InChIKey ZZNJMZOPONKQDU-JQDNXDNNSA-N
Molecular Weight 532.637 g/mol
SMILES N(C([C@]1([C@@]([C@](C(N2CCCCC2)=O)(C=C[C@@]1(c1cc2OCOc2cc1)[H])[H])(c1cc2c(OCO2)cc1)[H])[H])=O)CC(C)C
SPLASH splash10-00m0-3854490000-2096cbc91eaf1e19f7a1
Source of Spectrum F-67-1891-1
Synonyms Chabamide H (1R,2S,5R,6S)-2,6-bis(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-5-[oxo(1-piperidinyl)methyl]-1-cyclohex-3-enecarboxamide (1R,2S,5R,6S)-2,6-bis(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-5-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide (1R,2S,5R,6S)-2,6-bis(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-5-piperidin-1-ylcarbonyl-cyclohex-3-ene-1-carboxamide
Wiley ID 1685885