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METHYL-6-[1-[2-(((2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GLUCOPYRANOSYL)-OXY)-METHYL)-PHEN-1-YL]-VINYL]-2,3,4-TRI-O-BENZYL-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID Iu176b8Ebcx
InChI InChI=1S/C71H74O12/c1-52(74-51-63-65(76-44-55-30-14-5-15-31-55)66(77-45-56-32-16-6-17-33-56)68(70(72-2)82-63)79-47-58-36-20-8-21-37-58)61-41-25-24-40-60(61)49-81-71-69(80-48-59-38-22-9-23-39-59)67(78-46-57-34-18-7-19-35-57)64(75-43-54-28-12-4-13-29-54)62(83-71)50-73-42-53-26-10-3-11-27-53/h3-41,62-71H,1,42-51H2,2H3/t62-,63-,64-,65-,66+,67+,68-,69-,70+,71+/m1/s1
InChIKey OOABLROLXTVQGZ-PMSZKVTESA-N
Mol Weight 1119.4 g/mol
Molecular Formula C71H74O12
Exact Mass 1118.518028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C7RNUkaOCTr
Name METHYL-6-[1-[2-(((2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GLUCOPYRANOSYL)-OXY)-METHYL)-PHEN-1-YL]-VINYL]-2,3,4-TRI-O-BENZYL-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 14-ALPHA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C71H74O12
InChI InChI=1S/C71H74O12/c1-52(74-51-63-65(76-44-55-30-14-5-15-31-55)66(77-45-56-32-16-6-17-33-56)68(70(72-2)82-63)79-47-58-36-20-8-21-37-58)61-41-25-24-40-60(61)49-81-71-69(80-48-59-38-22-9-23-39-59)67(78-46-57-34-18-7-19-35-57)64(75-43-54-28-12-4-13-29-54)62(83-71)50-73-42-53-26-10-3-11-27-53/h3-41,62-71H,1,42-51H2,2H3/t62-,63-,64-,65-,66+,67+,68-,69-,70+,71+/m1/s1
InChIKey OOABLROLXTVQGZ-PMSZKVTESA-N
Literature Reference Author G.SCHEFFLER,R.R.SCHMIDT
Literature Reference Citation J.ORG.CHEM.,64,1319(1999)
Literature Reference DOI 10.1021/jo971778e
Molecular Weight 1119.361 g/mol
Sample ID 39436
Solvent CDCl3