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(3-S,5-R)-6',6''-DIDEBROMO-3,4-DIHYDROHAMACANTHIN_B
SpectraBase Compound ID 88tTpsT5a1S
InChI InChI=1S/C20H18N4O/c25-20-19(15-10-22-17-8-4-2-6-13(15)17)24-18(11-23-20)14-9-21-16-7-3-1-5-12(14)16/h1-10,18-19,21-22,24H,11H2,(H,23,25)/t18-,19+/m1/s1
InChIKey ATXAEACKVOFPLU-MOPGFXCFSA-N
Mol Weight 330.39 g/mol
Molecular Formula C20H18N4O
Exact Mass 330.148061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LMMI1p5OrdU
Name (3-S,5-R)-6',6''-DIDEBROMO-3,4-DIHYDROHAMACANTHIN_B
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18N4O
InChI InChI=1S/C20H18N4O/c25-20-19(15-10-22-17-8-4-2-6-13(15)17)24-18(11-23-20)14-9-21-16-7-3-1-5-12(14)16/h1-10,18-19,21-22,24H,11H2,(H,23,25)/t18-,19+/m1/s1
InChIKey ATXAEACKVOFPLU-MOPGFXCFSA-N
Literature Reference Author B.BAO,Q.SUN,X.YAO,J.HONG,C.O.LEE,H.Y.CHO,J.H.JUNG
Literature Reference Citation J.NAT.PROD.,70,2(2007)
Literature Reference DOI 10.1021/np060206z
Molecular Weight 330.389 g/mol
Sample ID 29457
Solvent DMSO-D6