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19-HYDROXYCERATINAMIDE_A

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19-HYDROXYCERATINAMIDE_A
SpectraBase Compound ID 9yjjOckEeM1
InChI InChI=1S/C22H23Br4N3O8/c1-34-18-14(25)7-22(36-9-15(18)26)20(32)17(29-37-22)21(33)28-3-2-4-35-19-12(23)5-11(6-13(19)24)16(31)8-27-10-30/h5-6,9-10,16,20,31-32H,2-4,7-8H2,1H3,(H,27,30)(H,28,33)/t16?,20-,22+/m0/s1
InChIKey ACLQABYEWNXQAA-CLVUSQIQSA-N
Mol Weight 777.05 g/mol
Molecular Formula C22H23Br4N3O8
Exact Mass 772.821867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3pWzepxn0MM
Name 19-HYDROXYCERATINAMIDE_A
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23Br4N3O8
InChI InChI=1S/C22H23Br4N3O8/c1-34-18-14(25)7-22(36-9-15(18)26)20(32)17(29-37-22)21(33)28-3-2-4-35-19-12(23)5-11(6-13(19)24)16(31)8-27-10-30/h5-6,9-10,16,20,31-32H,2-4,7-8H2,1H3,(H,27,30)(H,28,33)/t16?,20-,22+/m0/s1
InChIKey ACLQABYEWNXQAA-CLVUSQIQSA-N
Literature Reference Author Y.J.LEE,S.HAN,H.S.LEE,J.S.KANG,J.YUN,C.J.SIM,H.J.SHIN,J.S.LE E
Literature Reference Citation J.NAT.PROD.,76,1731(2013)
Literature Reference DOI 10.1021/np400448y
Molecular Weight 777.056 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ43192