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Acetyldihydrocelacinnine
SpectraBase Compound ID GgMaXEhqh5a
InChI InChI=1S/C27H35N3O3/c1-22(31)30-20-9-8-18-29(27(33)16-15-23-11-4-2-5-12-23)19-10-17-28-26(32)21-25(30)24-13-6-3-7-14-24/h2-7,11-14,25H,8-10,15-21H2,1H3,(H,28,32)/t25-/m0/s1
InChIKey HUDOOYHDLWWVPB-VWLOTQADSA-N
Mol Weight 449.6 g/mol
Molecular Formula C27H35N3O3
Exact Mass 449.267842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TqCtL31OF2
Name Acetyldihydrocelacinnine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35N3O3
InChI InChI=1S/C27H35N3O3/c1-22(31)30-20-9-8-18-29(27(33)16-15-23-11-4-2-5-12-23)19-10-17-28-26(32)21-25(30)24-13-6-3-7-14-24/h2-7,11-14,25H,8-10,15-21H2,1H3,(H,28,32)/t25-/m0/s1
InChIKey HUDOOYHDLWWVPB-VWLOTQADSA-N
Literature Reference DOI 10.1002/hlca.19810640129
Molecular Weight 449.595 g/mol
SMILES N1CCCN(CCCCN([C@@](CC1=O)(c1ccccc1)[H])C(C)=O)C(CCc1ccccc1)=O
SPLASH splash10-05mo-9701200000-a9e28767229f797935f1
Source of Spectrum H-64-296-8
Synonyms (S)-1-acetyl-2-phenyl-9-(3-phenylpropanoyl)-1,5,9-triazacyclotridecan-4-one
Wiley ID 1797551