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Acetylpleurosryline
SpectraBase Compound ID GqzBY2wixVR
InChI InChI=1S/C27H31N3O3/c1-20(31)29-17-7-8-18-30-24(23-12-6-5-9-21(23)13-14-27(30)33)15-16-28-26(32)19-25(29)22-10-3-2-4-11-22/h2-6,9-14,24-25H,7-8,15-19H2,1H3,(H,28,32)
InChIKey BRZMTKFANURPIO-UHFFFAOYSA-N
Mol Weight 445.56 g/mol
Molecular Formula C27H31N3O3
Exact Mass 445.236542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HSz1J2ePI
Name Acetylpleurosryline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31N3O3
InChI InChI=1S/C27H31N3O3/c1-20(31)29-17-7-8-18-30-24(23-12-6-5-9-21(23)13-14-27(30)33)15-16-28-26(32)19-25(29)22-10-3-2-4-11-22/h2-6,9-14,24-25H,7-8,15-19H2,1H3,(H,28,32)
InChIKey BRZMTKFANURPIO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19810640129
Molecular Weight 445.563 g/mol
SMILES N1CCC2N(CCCCN(C(CC1=O)c1ccccc1)C(C)=O)C(C=Cc1c2cccc1)=O
SPLASH splash10-0ff0-2911100000-a6ffc36035661fdcfbd5
Source of Spectrum H-64-294-2
Synonyms 7-Acetyl-6-phenyl-1,2,3,6,7,8,9,10,11,19b-decahydro-13H-benzo[3,4]azepino[1,2-a][1,5,9]triazacyclotridecine-4,13(5H)-dione
Wiley ID 1797545