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Tryprostatin A

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Tryprostatin A
SpectraBase Compound ID KsHkP7fqtpB
InChI InChI=1S/C22H27N3O3/c1-13(2)6-9-17-16(15-8-7-14(28-3)11-18(15)23-17)12-19-22(27)25-10-4-5-20(25)21(26)24-19/h6-8,11,19-20,23H,4-5,9-10,12H2,1-3H3,(H,24,26)/t19-,20-/m0/s1
InChIKey XNRPVPHNDQHWLJ-PMACEKPBSA-N
Mol Weight 381.48 g/mol
Molecular Formula C22H27N3O3
Exact Mass 381.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pJmDxIpZ1V
Name Tryprostatin A
Alternate Name(s) (3S,8aS)-3-[[6-methoxy-2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione (3S,8aS)-3-[[6-methoxy-2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-quinone
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Formula C22H27N3O3
InChI InChI=1S/C22H27N3O3/c1-13(2)6-9-17-16(15-8-7-14(28-3)11-18(15)23-17)12-19-22(27)25-10-4-5-20(25)21(26)24-19/h6-8,11,19-20,23H,4-5,9-10,12H2,1-3H3,(H,24,26)/t19-,20-/m0/s1
InChIKey XNRPVPHNDQHWLJ-PMACEKPBSA-N
Molecular Weight 381.476 g/mol
SMILES [nH]1c2c(c(C[C@]3(C(N4[C@](C(N3)=O)(CCC4)[H])=O)[H])c1CC=C(C)C)ccc(c2)OC
SPLASH splash10-004i-0090000000-814dd643bedf9ef214f0
Source of Spectrum J-62-9304-11
Wiley ID 1360234