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N-Tosylpseudooncinotine
SpectraBase Compound ID ETv3IdGJWba
InChI InChI=1S/C30H51N3O3S/c1-27-18-20-29(21-19-27)37(35,36)33-25-13-11-22-31-30(34)17-9-7-5-3-2-4-6-8-15-28-16-10-12-23-32(28)24-14-26-33/h18-21,28H,2-17,22-26H2,1H3,(H,31,34)/t28-/m1/s1
InChIKey PGPUQHWUARSSII-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 JUxPHVCZlzk
Name N-Tosylpseudooncinotine
Alternate Name(s) (R)-4-tosyldocosahydro-1H-pyrido[2,1-v][1,5,10]triazacyclodocosin-10(11H)-one
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)33-25-13-11-22-31-30(34)17-9-7-5-3-2-4-6-8-15-28-16-10-12-23-32(28)24-14-26-33/h18-21,28H,2-17,22-26H2,1H3,(H,31,34)/t28-/m1/s1
InChIKey PGPUQHWUARSSII-MUUNZHRXSA-N
Literature Reference DOI 10.1002/hlca.19760590839
Molecular Weight 533.816 g/mol
SMILES N1CCCCN(CCCN2CCCC[C@]2(CCCCCCCCCCC1=O)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-000t-9202020000-7402c62729123043920a
Source of Spectrum H-59-3022-20
Wiley ID 1800009