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(N-TERT.-BUTYLCARBONYL)-ISO-AQNOMOIAN_A
SpectraBase Compound ID 4Zev7egkjjf
InChI InChI=1S/C29H39Br4N3O5/c1-29(2,3)41-28(38)36(6)24(17-19-15-20(30)25(39-7)21(31)16-19)27(37)34-10-9-18-13-22(32)26(23(33)14-18)40-12-8-11-35(4)5/h13-16,24H,8-12,17H2,1-7H3,(H,34,37)/t24-/m0/s1
InChIKey DILUTVAVKPEJCA-DEOSSOPVSA-N
Mol Weight 829.3 g/mol
Molecular Formula C29H39Br4N3O5
Exact Mass 824.962323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74uOyA1GbCk
Name (N-TERT.-BUTYLCARBONYL)-ISO-AQNOMOIAN_A
Compound Number 13C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H39Br4N3O5
InChI InChI=1S/C29H39Br4N3O5/c1-29(2,3)41-28(38)36(6)24(17-19-15-20(30)25(39-7)21(31)16-19)27(37)34-10-9-18-13-22(32)26(23(33)14-18)40-12-8-11-35(4)5/h13-16,24H,8-12,17H2,1-7H3,(H,34,37)/t24-/m0/s1
InChIKey DILUTVAVKPEJCA-DEOSSOPVSA-N
Literature Reference Author S.K.KOTTAKOTA,D.EVANGELOPOULOS,A.ALNIMR,S.BHAKTA,T.D.MCHUGH, M.GRAY,P.W.GROUNDWAT
Literature Reference Citation J.NAT.PROD.,75,1090(2012)
Literature Reference DOI 10.1021/np300102z
Molecular Weight 829.262 g/mol
Sample ID 41128
Solvent CDCl3