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APLYSINAMETABOLITE;METHYL-4-[(5S,10R)-7,9-DIBROMO-10-HYDROXY-8-METHOXY-1-OXA-2-AZASPIRO-[4.5]-DECA-2,6,8-TRIENECARBOXAMIDO]-2-OXO-BUTYLCARBAMATE

View entire compound with spectra: 1 NMR

APLYSINAMETABOLITE;METHYL-4-[(5S,10R)-7,9-DIBROMO-10-HYDROXY-8-METHOXY-1-OXA-2-AZASPIRO-[4.5]-DECA-2,6,8-TRIENECARBOXAMIDO]-2-OXO-BUTYLCARBAMATE
SpectraBase Compound ID 7rV8x2aWhhN
InChI InChI=1S/C16H19Br2N3O7/c1-26-12-9(17)5-16(13(23)11(12)18)6-10(21-28-16)14(24)19-4-3-8(22)7-20-15(25)27-2/h5,13,23H,3-4,6-7H2,1-2H3,(H,19,24)(H,20,25)/t13-,16+/m0/s1
InChIKey QRCHFTPWKYEDNH-XJKSGUPXSA-N
Mol Weight 525.15 g/mol
Molecular Formula C16H19Br2N3O7
Exact Mass 522.958976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HM4M0EAryDH
Name APLYSINAMETABOLITE;METHYL-4-[(5S,10R)-7,9-DIBROMO-10-HYDROXY-8-METHOXY-1-OXA-2-AZASPIRO-[4.5]-DECA-2,6,8-TRIENECARBOXAMIDO]-2-OXO-BUTYLCARBAMATE
Compound Number 64
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19Br2N3O7
InChI InChI=1S/C16H19Br2N3O7/c1-26-12-9(17)5-16(13(23)11(12)18)6-10(21-28-16)14(24)19-4-3-8(22)7-20-15(25)27-2/h5,13,23H,3-4,6-7H2,1-2H3,(H,19,24)(H,20,25)/t13-,16+/m0/s1
InChIKey QRCHFTPWKYEDNH-XJKSGUPXSA-N
Literature Reference Author N.S.LIRA,R.C.MONTES,J.F.TAVARES,M.S.D.SILVA,E.V.L.D.CUNHA,P. F.D.ATHAYDE-FILHO
Literature Reference Citation MAR.DRUGS,9,2316(2011)
Literature Reference DOI 10.3390/md9112316
Molecular Weight 525.151 g/mol
Source File Reference UWBT6934