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TRANS-3,4-DIHYDROHAMACANTHIN-A

View entire compound with spectra: 1 NMR

TRANS-3,4-DIHYDROHAMACANTHIN-A
SpectraBase Compound ID LFk2wmMxo4t
InChI InChI=1S/C20H16Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-19(20(27)26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18-19,23-25H,9H2,(H,26,27)/t18-,19-/m1/s1
InChIKey WQWGKDGEXNWWHH-RTBURBONSA-N
Mol Weight 488.18 g/mol
Molecular Formula C20H16Br2N4O
Exact Mass 485.969087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KK1fEBrPVQx
Name TRANS-3,4-DIHYDROHAMACANTHIN-A
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16Br2N4O
InChI InChI=1S/C20H16Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-19(20(27)26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18-19,23-25H,9H2,(H,26,27)/t18-,19-/m1/s1
InChIKey WQWGKDGEXNWWHH-RTBURBONSA-N
Literature Reference Author A.CASAPULLO,G.BIFULCO,I.BRUNO,R.RICCIO
Literature Reference Citation J.NAT.PROD.,63,447(2000)
Literature Reference DOI 10.1021/np9903292
Molecular Weight 488.181 g/mol
Solvent ACETONE-D6
Source File Reference UWRU5873