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2,2-dimethylpropionic acid [(2R,3R,4S,5S,6S)-5-iodo-6-(phenylsulfonylamino)-4-pivaloyloxy-2-(pivaloyloxymethyl)tetrahydropyran-3-yl] ester

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2,2-dimethylpropionic acid [(2R,3R,4S,5S,6S)-5-iodo-6-(phenylsulfonylamino)-4-pivaloyloxy-2-(pivaloyloxymethyl)tetrahydropyran-3-yl] ester
SpectraBase Compound ID 8yVFvyeJ44k
InChI InChI=1S/C27H40INO9S/c1-25(2,3)22(30)35-15-17-19(37-23(31)26(4,5)6)20(38-24(32)27(7,8)9)18(28)21(36-17)29-39(33,34)16-13-11-10-12-14-16/h10-14,17-21,29H,15H2,1-9H3/t17-,18+,19-,20-,21+/m1/s1
InChIKey ORFVVBBWHZWDRG-XNTOXWQXSA-N
Mol Weight 681.6 g/mol
Molecular Formula C27H40INO9S
Exact Mass 681.146848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92seze0NgZg
Name 2,2-dimethylpropionic acid [(2R,3R,4S,5S,6S)-5-iodo-6-(phenylsulfonylamino)-4-pivaloyloxy-2-(pivaloyloxymethyl)tetrahydropyran-3-yl] ester
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40INO9S
InChI InChI=1S/C27H40INO9S/c1-25(2,3)22(30)35-15-17-19(37-23(31)26(4,5)6)20(38-24(32)27(7,8)9)18(28)21(36-17)29-39(33,34)16-13-11-10-12-14-16/h10-14,17-21,29H,15H2,1-9H3/t17-,18+,19-,20-,21+/m1/s1
InChIKey ORFVVBBWHZWDRG-XNTOXWQXSA-N
Literature Reference Author J.M.OWENS,B.K.S.YEUNG,D.C.HILL,P.A.PETILLO
Literature Reference Citation J.ORG.CHEM.,66,1484(2001)
Literature Reference DOI 10.1021/jo001161o
Molecular Weight 681.580 g/mol
Solvent Unknown
Source File Reference UWMS25947