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7-[[BETA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-OXY-METHYL]-8,8-DIMETHYL-4,8-DIHYDRO-BENZO-[1,4]-THIAZINE-3,5-DIONE

View entire compound with spectra: 1 NMR

7-[[BETA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-OXY-METHYL]-8,8-DIMETHYL-4,8-DIHYDRO-BENZO-[1,4]-THIAZINE-3,5-DIONE
SpectraBase Compound ID 7r0fuokfcOU
InChI InChI=1S/C22H31NO12S/c1-21(2)9(3-10(25)13-18(21)36-6-12(26)23-13)4-32-19-16(29)15(28)14(27)11(35-19)5-33-20-17(30)22(31,7-24)8-34-20/h3,11,14-17,19-20,24,27-31H,4-8H2,1-2H3,(H,23,26)/t11-,14-,15+,16-,17+,19-,20-,22-/m1/s1
InChIKey ZIMPSOSMBUYKHV-GKNIQRHGSA-N
Mol Weight 533.55 g/mol
Molecular Formula C22H31NO12S
Exact Mass 533.156697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cw30Fx6eJvO
Name 7-[[BETA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-OXY-METHYL]-8,8-DIMETHYL-4,8-DIHYDRO-BENZO-[1,4]-THIAZINE-3,5-DIONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31NO12S
InChI InChI=1S/C22H31NO12S/c1-21(2)9(3-10(25)13-18(21)36-6-12(26)23-13)4-32-19-16(29)15(28)14(27)11(35-19)5-33-20-17(30)22(31,7-24)8-34-20/h3,11,14-17,19-20,24,27-31H,4-8H2,1-2H3,(H,23,26)/t11-,14-,15+,16-,17+,19-,20-,22-/m1/s1
InChIKey ZIMPSOSMBUYKHV-GKNIQRHGSA-N
Literature Reference Author H.JIANG,L.YANG,C.LIU,H.HOU,Q.WANG,Z.WANG,B.YANG,H.KUANG
Literature Reference Citation MOLECULES,18,12464(2013)
Literature Reference DOI 10.3390/molecules181012464
Molecular Weight 533.548 g/mol
Solvent CD3OD
Source File Reference UWIR9634