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DITHIOCARBONIC-ACID-S-(1-[[ACETYL-(4-IODOBENZENESULFONYL)-AMINO]-METHYL]-5,5-DIMETHOXY-4-OXOPENTYL)-ESTER-O-ETHYLESTER

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DITHIOCARBONIC-ACID-S-(1-[[ACETYL-(4-IODOBENZENESULFONYL)-AMINO]-METHYL]-5,5-DIMETHOXY-4-OXOPENTYL)-ESTER-O-ETHYLESTER
SpectraBase Compound ID 8q9RRPmZqy4
InChI InChI=1S/2C20H28INO8S3/c2*1-6-30-32-20(31)14(11-17(18(24)27-3)19(28-4)29-5)12-22(13(2)23)33(25,26)16-9-7-15(21)8-10-16/h2*7-10,14,17,19H,6,11-12H2,1-5H3
InChIKey ITOPKLIFHSFDSZ-UHFFFAOYSA-N
Mol Weight 1267.05 g/mol
Molecular Formula C40H56I2N2O16S6
Exact Mass 1266.004351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6LRge6pJpJ
Name DITHIOCARBONIC-ACID-S-(1-[[ACETYL-(4-IODOBENZENESULFONYL)-AMINO]-METHYL]-5,5-DIMETHOXY-4-OXOPENTYL)-ESTER-O-ETHYLESTER
Compound Number 4I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H56I2N2O16S6
InChI InChI=1S/2C20H28INO8S3/c2*1-6-30-32-20(31)14(11-17(18(24)27-3)19(28-4)29-5)12-22(13(2)23)33(25,26)16-9-7-15(21)8-10-16/h2*7-10,14,17,19H,6,11-12H2,1-5H3
InChIKey ITOPKLIFHSFDSZ-UHFFFAOYSA-N
Literature Reference Author A.GHEORGHE,B.QUICLET-SIRE,X.VILA,S.Z.ZARD
Literature Reference Citation ORG.LETTERS,7,1653(2005)
Literature Reference DOI 10.1021/ol0503642
Molecular Weight 1267.057 g/mol
Sample ID 62163
Solvent CDCl3