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N-Tosylisooncinotine
SpectraBase Compound ID AC1HUupqEE
InChI InChI=1S/C30H51N3O3S/c1-27-18-20-29(21-19-27)37(35,36)33-25-13-12-24-32-23-11-10-16-28(32)15-8-6-4-2-3-5-7-9-17-30(34)31-22-14-26-33/h18-21,28H,2-17,22-26H2,1H3,(H,31,34)/t28-/m1/s1
InChIKey SYWUZHITSOVJCN-MUUNZHRXSA-N
Mol Weight 533.8 g/mol
Molecular Formula C30H51N3O3S
Exact Mass 533.365114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Ra92IQeHLP
Name N-Tosylisooncinotine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H51N3O3S
InChI InChI=1S/C30H51N3O3S/c1-27-18-20-29(21-19-27)37(35,36)33-25-13-12-24-32-23-11-10-16-28(32)15-8-6-4-2-3-5-7-9-17-30(34)31-22-14-26-33/h18-21,28H,2-17,22-26H2,1H3,(H,31,34)/t28-/m1/s1
InChIKey SYWUZHITSOVJCN-MUUNZHRXSA-N
Literature Reference DOI 10.1002/hlca.19760590839
Molecular Weight 533.816 g/mol
SMILES N1CCCN(CCCCN2CCCC[C@]2(CCCCCCCCCCC1=O)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-005a-9304010000-d1036b6e291f67688863
Source of Spectrum H-59-3025-25
Synonyms (R)-5-tosyldocosahydro-1H-pyrido[1,2-j][1,5,10]triazacyclodocosin-10(11H)-one
Wiley ID 1800014