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HAMACANTHIN_B;(S)-3,5-BIS-(BROMOINDOL-3-YL)-5,6-DIHYDRO-1-H-PYRAZIN-2-ONE
SpectraBase Compound ID 85ixDs6qfOx
InChI InChI=1S/C20H14Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18,23-24H,9H2,(H,25,27)/t18-/m1/s1
InChIKey MYXLDFYXMNSXDR-GOSISDBHSA-N
Mol Weight 486.17 g/mol
Molecular Formula C20H14Br2N4O
Exact Mass 483.953437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H4Xeb6qzJQE
Name HAMACANTHIN_B;(S)-3,5-BIS-(BROMOINDOL-3-YL)-5,6-DIHYDRO-1-H-PYRAZIN-2-ONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H14Br2N4O
InChI InChI=1S/C20H14Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18,23-24H,9H2,(H,25,27)/t18-/m1/s1
InChIKey MYXLDFYXMNSXDR-GOSISDBHSA-N
Literature Reference Author B.BAO,Q.SUN,X.YAO,J.HONG,C.O.LEE,C.J.SIM,K.S.IM,J.H.JUNG
Literature Reference Citation J.NAT.PROD.,68,711(2005)
Literature Reference DOI 10.1021/np049577a
Molecular Weight 486.165 g/mol
Solvent DMSO-D6