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#26;ALLYL-[3-O-BENZYL-4,6-O-BENZYLIDENE-2-O-TRIFLUOROMETHANESULFONYL-BETA-D-GLUCOPYRANOSYL-(1->2)]-3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSYL-(1->2)]-3,4,6-TRI-
SpectraBase Compound ID I9UxBdCEue0
InChI InChI=1S/C78H81F3O18S/c1-2-43-86-75-71(68(89-48-58-35-19-7-20-36-58)65(87-46-56-31-15-5-16-32-56)62(93-75)51-84-44-54-27-11-3-12-28-54)97-76-72(69(90-49-59-37-21-8-22-38-59)66(88-47-57-33-17-6-18-34-57)63(94-76)52-85-45-55-29-13-4-14-30-55)98-77-73(99-100(82,83)78(79,80)81)70(91-50-60-39-23-9-24-40-60)67-64(95-77)53-92-74(96-67)61-41-25-10-26-42-61/h2-42,62-77H,1,43-53H2/t62-,63-,64+,65-,66-,67+,68+,69+,70-,71+,72+,73+,74+,75-,76+,77-/m1/s1
InChIKey MRPVEIRTEIESAB-SACMEDDDSA-N
Mol Weight 1395.5 g/mol
Molecular Formula C78H81F3O18S
Exact Mass 1394.509571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3sT21loLWPR
Name #26;ALLYL-[3-O-BENZYL-4,6-O-BENZYLIDENE-2-O-TRIFLUOROMETHANESULFONYL-BETA-D-GLUCOPYRANOSYL-(1->2)]-3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSYL-(1->2)]-3,4,6-TRI-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C78H81F3O18S
InChI InChI=1S/C78H81F3O18S/c1-2-43-86-75-71(68(89-48-58-35-19-7-20-36-58)65(87-46-56-31-15-5-16-32-56)62(93-75)51-84-44-54-27-11-3-12-28-54)97-76-72(69(90-49-59-37-21-8-22-38-59)66(88-47-57-33-17-6-18-34-57)63(94-76)52-85-45-55-29-13-4-14-30-55)98-77-73(99-100(82,83)78(79,80)81)70(91-50-60-39-23-9-24-40-60)67-64(95-77)53-92-74(96-67)61-41-25-10-26-42-61/h2-42,62-77H,1,43-53H2/t62-,63-,64+,65-,66-,67+,68+,69+,70-,71+,72+,73+,74+,75-,76+,77-/m1/s1
InChIKey MRPVEIRTEIESAB-SACMEDDDSA-N
Literature Reference Author M.NITZ,D.R.BUNDLE
Literature Reference Citation J.ORG.CHEM.,66,8411(2001)
Literature Reference DOI 10.1021/jo010570x
Molecular Weight 1395.546 g/mol
Solvent CDCl3
Source File Reference UWLU29163