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Fellutanine B

View entire compound with spectra: 1 MS (GC)

Fellutanine B
SpectraBase Compound ID 3wA5hRuvcwx
InChI InChI=1S/C27H28N4O2/c1-4-27(2,3)24-19(18-10-6-8-12-21(18)29-24)14-23-26(33)30-22(25(32)31-23)13-16-15-28-20-11-7-5-9-17(16)20/h4-12,15,22-23,28-29H,1,13-14H2,2-3H3,(H,30,33)(H,31,32)/t22-,23-/m0/s1
InChIKey PFYKDKMYQRWRGF-GOTSBHOMSA-N
Mol Weight 440.55 g/mol
Molecular Formula C27H28N4O2
Exact Mass 440.221226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42yDc2aCz4j
Name Fellutanine B
Alternate Name(s) (3S,6S)-3-[[2-(1,1-dimethylallyl)-1H-indol-3-yl]methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione (3S,6S)-3-(1H-indol-3-ylmethyl)-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]piperazine-2,5-dione
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Formula C27H28N4O2
InChI InChI=1S/C27H28N4O2/c1-4-27(2,3)24-19(18-10-6-8-12-21(18)29-24)14-23-26(33)30-22(25(32)31-23)13-16-15-28-20-11-7-5-9-17(16)20/h4-12,15,22-23,28-29H,1,13-14H2,2-3H3,(H,30,33)(H,31,32)/t22-,23-/m0/s1
InChIKey PFYKDKMYQRWRGF-GOTSBHOMSA-N
Molecular Weight 440.547 g/mol
SMILES [nH]1c2c(c(C[C@]3(C(N[C@@](Cc4c[nH]c5c4cccc5)(C(N3)=O)[H])=O)[H])c1C(C=C)(C)C)cccc2
SPLASH splash10-000y-0900500000-cd7b3af7667c14b7e71d
Source of Spectrum G4-63-699-2
Wiley ID 1608428