John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=L8F3Ed2blFD SpectraBase Spectrum ID=2vwHq6XsDSF

(accessed ).
PSEUDOCERATININE-B
SpectraBase Compound ID L8F3Ed2blFD
InChI InChI=1S/C18H25Br2N5O2.2ClH/c1-25(2,3)15(9-11-7-13(19)16(27-4)14(20)8-11)17(26)22-6-5-12-10-23-18(21)24-12;;/h7-8,10,15H,5-6,9H2,1-4H3,(H3-,21,22,23,24,26);2*1H
InChIKey DEQFKMNHMJHPKH-UHFFFAOYSA-N
Mol Weight 576.16 g/mol
Molecular Formula C18H27Br2Cl2N5O2
Exact Mass 572.990853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vwHq6XsDSF
Name PSEUDOCERATININE-B
Compound Number 2
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Formula C18H27Br2Cl2N5O2
InChI InChI=1S/C18H25Br2N5O2.2ClH/c1-25(2,3)15(9-11-7-13(19)16(27-4)14(20)8-11)17(26)22-6-5-12-10-23-18(21)24-12;;/h7-8,10,15H,5-6,9H2,1-4H3,(H3-,21,22,23,24,26);2*1H
InChIKey DEQFKMNHMJHPKH-UHFFFAOYSA-N
Literature Reference Author A.BENHARREF,M.PAIS,C.DEBITUS
Literature Reference Citation J.NAT.PROD.,59,177(1996)
Literature Reference DOI 10.1021/np9600457
Molecular Weight 576.159 g/mol
Solvent CD3OD
Source File Reference UWVP2604
SpectraBase Batch ID 2tmQlCinKqg