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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

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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
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HpmEsK1ymDL
Name 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 Number 26C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31Br2NO8S
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
Literature Reference Author B.J.PAUL,J.WILLIS,T.A.MARTINOT,I.GHIVIRIGA,K.A.ABBOUD,T.HUDL ICKY
Literature Reference Citation J.AM.CHEM.SOC.,124,10416(2002)
Literature Reference DOI 10.1021/ja0205378
Molecular Weight 665.391 g/mol
Sample ID 34802
Solvent CDCl3