For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
APLYSINA-METABOLITE-14;METHYL-4-[(5S,10R)-7,9-DIBROMO-10-HYDROXY-8-METHOXY-1-OXA-2-AZASPIRO-[4.5]-DECA-2,6,8-TRIENECARBOXAMIDO]-BUTYLCARBAMATE
SpectraBase Compound ID 4XIG142zLuG
InChI InChI=1S/C16H21Br2N3O6/c1-25-12-9(17)7-16(13(22)11(12)18)8-10(21-27-16)14(23)19-5-3-4-6-20-15(24)26-2/h7,13,22H,3-6,8H2,1-2H3,(H,19,23)(H,20,24)/t13-,16+/m0/s1
InChIKey GDKYFVYJOABXKN-XJKSGUPXSA-N
Mol Weight 511.17 g/mol
Molecular Formula C16H21Br2N3O6
Exact Mass 508.979711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3uRwHb1aOgz
Name APLYSINA-METABOLITE-14;METHYL-4-[(5S,10R)-7,9-DIBROMO-10-HYDROXY-8-METHOXY-1-OXA-2-AZASPIRO-[4.5]-DECA-2,6,8-TRIENECARBOXAMIDO]-BUTYLCARBAMATE
Compound Number 66
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21Br2N3O6
InChI InChI=1S/C16H21Br2N3O6/c1-25-12-9(17)7-16(13(22)11(12)18)8-10(21-27-16)14(23)19-5-3-4-6-20-15(24)26-2/h7,13,22H,3-6,8H2,1-2H3,(H,19,23)(H,20,24)/t13-,16+/m0/s1
InChIKey GDKYFVYJOABXKN-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 511.167 g/mol
Source File Reference UWBT6936