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AMMONIFICIN_B
SpectraBase Compound ID 67hWZDVTHU6
InChI InChI=1S/C23H21Br2NO5/c24-16-6-4-12(8-17(16)25)21-20(31-14-3-1-2-13(27)9-14)11-30-23-15(19(29)10-26)5-7-18(28)22(21)23/h1-9,19-21,27-29H,10-11,26H2/t19-,20+,21+/m0/s1
InChIKey RXHDLZKGVZUGQS-PWRODBHTSA-N
Mol Weight 551.23 g/mol
Molecular Formula C23H21Br2NO5
Exact Mass 548.978649 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aorepf7aZyd
Name AMMONIFICIN_B
CAS Registry Number 1169526-67-3
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H21Br2NO5
InChI InChI=1S/C23H21Br2NO5/c24-16-6-4-12(8-17(16)25)21-20(31-14-3-1-2-13(27)9-14)11-30-23-15(19(29)10-26)5-7-18(28)22(21)23/h1-9,19-21,27-29H,10-11,26H2/t19-,20+,21+/m0/s1
InChIKey RXHDLZKGVZUGQS-PWRODBHTSA-N
Literature Reference Author E.H.ANDRIANASOLO,L.HARAMATY,R.ROSARIO-PASSAPERA,K.BIDLE,E.WH ITE,C.VETRIANI,P.FAL
Literature Reference Citation J.NAT.PROD.,72,1216(2009)
Literature Reference DOI 10.1021/np800726d
Molecular Weight 551.231 g/mol
Sample ID 33137
Solvent DMSO-D6