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

*Links on SpectraBase are not permalinks.

benzoic acid [(2R,3R,4S,5S,6R)-4-(benzoyloxy)-2-(benzoyloxymethyl)-5-iodo-6-(phenylsulfonylamino)tetrahydropyran-3-yl] ester

View entire compound with spectra: 1 NMR

benzoic acid [(2R,3R,4S,5S,6R)-4-(benzoyloxy)-2-(benzoyloxymethyl)-5-iodo-6-(phenylsulfonylamino)tetrahydropyran-3-yl] ester
SpectraBase Compound ID KsVdIwGg3KW
InChI InChI=1S/C33H28INO9S/c34-27-29(44-33(38)24-17-9-3-10-18-24)28(43-32(37)23-15-7-2-8-16-23)26(21-41-31(36)22-13-5-1-6-14-22)42-30(27)35-45(39,40)25-19-11-4-12-20-25/h1-20,26-30,35H,21H2/t26-,27+,28-,29-,30-/m1/s1
InChIKey XBBFQNDZMVIYBV-ONBQWJCTSA-N
Mol Weight 741.5 g/mol
Molecular Formula C33H28INO9S
Exact Mass 741.052948 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 85JKyHub1qJ
Name benzoic acid [(2R,3R,4S,5S,6R)-4-(benzoyloxy)-2-(benzoyloxymethyl)-5-iodo-6-(phenylsulfonylamino)tetrahydropyran-3-yl] ester
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H28INO9S
InChI InChI=1S/C33H28INO9S/c34-27-29(44-33(38)24-17-9-3-10-18-24)28(43-32(37)23-15-7-2-8-16-23)26(21-41-31(36)22-13-5-1-6-14-22)42-30(27)35-45(39,40)25-19-11-4-12-20-25/h1-20,26-30,35H,21H2/t26-,27+,28-,29-,30-/m1/s1
InChIKey XBBFQNDZMVIYBV-ONBQWJCTSA-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 741.551 g/mol
Solvent Unknown
Source File Reference UWMS25951