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3-Oxo-7-hydroxy-3,7-secorhynchophylline
SpectraBase Compound ID BdbUQ79UVGQ
InChI InChI=1S/C22H28N2O6/c1-4-14-12-24(19(25)11-15(14)16(13-29-2)20(26)30-3)10-9-22(28)17-7-5-6-8-18(17)23-21(22)27/h5-8,13-15,28H,4,9-12H2,1-3H3,(H,23,27)/b16-13-/t14-,15-,22?/m0/s1
InChIKey BSZMATVWFZYBEG-XLNIZTGZSA-N
Mol Weight 416.47 g/mol
Molecular Formula C22H28N2O6
Exact Mass 416.194737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7IAQWz31xuf
Name 3-Oxo-7-hydroxy-3,7-secorhynchophylline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O6
InChI InChI=1S/C22H28N2O6/c1-4-14-12-24(19(25)11-15(14)16(13-29-2)20(26)30-3)10-9-22(28)17-7-5-6-8-18(17)23-21(22)27/h5-8,13-15,28H,4,9-12H2,1-3H3,(H,23,27)/b16-13-/t14-,15-,22?/m0/s1
InChIKey BSZMATVWFZYBEG-XLNIZTGZSA-N
Molecular Weight 416.474 g/mol
SMILES N1c2c(C(CCN3C[C@@]([C@@](\C(C(=O)OC)=C\OC)(CC3=O)[H])(CC)[H])(C1=O)O)cccc2
SPLASH splash10-014i-0391100000-4fadd1f4ba085d287d2a
Source of Spectrum E1-38-575-2
Synonyms Methyl (2Z)-2-{5-ethyl-1-[2-(3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)ethyl]-2-oxo-4-piperidinyl}-3-methoxy-2-propenoate
Wiley ID 1518218