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N-[(3aS,4R,5R,7aS)-5-[[(3aS,4R,5S,7aS)-7-bromo-5-hydroxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy]-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-4-methylbenzenesulfonamide

Compound with spectra: 1 NMR

N-[(3aS,4R,5R,7aS)-5-[[(3aS,4R,5S,7aS)-7-bromo-5-hydroxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy]-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-4-methylbenzenesulfonamide
SpectraBase Compound ID HWjZtggjLiB
InChI InChI=1S/C25H31Br2NO8S/c1-12-6-8-13(9-7-12)37(30,31)28-18-17(11-15(27)19-22(18)35-24(2,3)33-19)32-21-16(29)10-14(26)20-23(21)36-25(4,5)34-20/h6-11,16-23,28-29H,1-5H3/t16-,17+,18+,19+,20+,21+,22-,23+/m0/s1
InChIKey ZGXUTBUYWKZCNI-OAZNGRAUSA-N
Mol Weight 665.39 g/mol
Molecular Formula C25H31Br2NO8S
Exact Mass 663.013714 g/mol
Enantiomer InChIKey ZGXUTBUYWKZCNI-QONUYQIRSA-N

View Spectrum of N-[(3aS,4R,5R,7aS)-5-[[(3aS,4R,5S,7aS)-7-bromo-5-hydroxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy]-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-4-methylbenzenesulfonamide

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
ZGXUTBUYWKZCNI-YIMJPLONSA-N
N-[(3aS,4R,5S,7aS)-5-[[(3aS,4R,5S,7aS)-7-bromo-5-hydroxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy]-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-4-methylbenzenesulfonamide
2-(2,4-dimethoxyphenyl)-3,7,8-trimethoxy-5-oxidanyl-chromen-4-one
isoxazolo[5,4-b]quinolin-5(6H)-one, 4,7,8,9-tetrahydro-7-(4-hydroxyphenyl)-3-methyl-4-(3-pyridinyl)-
NITENSOSIDE-A;SORBIFOLIN-6-O-ALPHA-RHAMNOPYRANOSYL-(1'''->6'')-BETA-GLUCOPYRANOSIDE
REL-(7R,8S,1'R,2'S)-2'-HYDROXY-3,4,5'-TRIMETHOXY-3'-OXO-DELTA(1,3,5,4',8')-8.1',7.O.2'-NEOLIGNAN
3-ALPHA-CHLOROMETHYL-3-BETA-METHYLTHIO-1-OXACEPHAM-BENZHYDRYLESTER
Scutellaprostin E
(5aRS,7SR,9aSR,9bSR)-7-Methyl-2,3,6,7-tetrahydro-7,9a-epoxy[1,3]thiazolo[2,3-a]isoindol-5(5aH,9bH)-one
9-Azatetracyclo[10.2.1.0(2,11).0(3,8)]pentadeca-3,5,7-triene-7-carboxylic acid, 10-(2,5-difluorophenyl)-
Title Journal or Book Year
Synthesis, Structure, and Biological Evaluation of Novel N- and O-Linked Diinositols Journal of the American Chemical Society 2002
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