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METHYL-O-[4,6-DIDEOXY-4-[(1R,4R,5S,6S)-4,5,6-TRIBENZYLOXY-3-(BENZYLOXYMETHYL-CYCLOHEX-2-ENYL]-AMINO-BETA-D-GLUCOSYL]-(1->4)-O-(2,3,6-TRI-O-BENZYL-
SpectraBase Compound ID 4Vbq1VCgi0n
InChI InChI=1S/C96H105NO18/c1-67-82(97-79-53-78(64-101-54-68-33-13-3-14-34-68)85(104-57-71-39-19-6-20-40-71)89(106-59-73-43-23-8-24-44-73)86(79)105-58-72-41-21-7-22-42-72)83(98)84(99)94(111-67)114-87-81(66-103-56-70-37-17-5-18-38-70)113-96(93(110-63-77-51-31-12-32-52-77)91(87)108-61-75-47-27-10-28-48-75)115-88-80(65-102-55-69-35-15-4-16-36-69)112-95(100-2)92(109-62-76-49-29-11-30-50-76)90(88)107-60-74-45-25-9-26-46-74/h3-53,67,79-99H,54-66H2,1-2H3/t67-,79+,80-,81-,82-,83+,84-,85+,86-,87-,88-,89-,90+,91+,92-,93-,94+,95-,96+/m1/s1
InChIKey KIISKHDGHKBCGJ-JZQMTFPMSA-N
Mol Weight 1560.9 g/mol
Molecular Formula C96H105NO18
Exact Mass 1559.733166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8SxNiDfnkTQ
Name METHYL-O-[4,6-DIDEOXY-4-[(1R,4R,5S,6S)-4,5,6-TRIBENZYLOXY-3-(BENZYLOXYMETHYL-CYCLOHEX-2-ENYL]-AMINO-BETA-D-GLUCOSYL]-(1->4)-O-(2,3,6-TRI-O-BENZYL-
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C96H105NO18
InChI InChI=1S/C96H105NO18/c1-67-82(97-79-53-78(64-101-54-68-33-13-3-14-34-68)85(104-57-71-39-19-6-20-40-71)89(106-59-73-43-23-8-24-44-73)86(79)105-58-72-41-21-7-22-42-72)83(98)84(99)94(111-67)114-87-81(66-103-56-70-37-17-5-18-38-70)113-96(93(110-63-77-51-31-12-32-52-77)91(87)108-61-75-47-27-10-28-48-75)115-88-80(65-102-55-69-35-15-4-16-36-69)112-95(100-2)92(109-62-76-49-29-11-30-50-76)90(88)107-60-74-45-25-9-26-46-74/h3-53,67,79-99H,54-66H2,1-2H3/t67-,79+,80-,81-,82-,83+,84-,85+,86-,87-,88-,89-,90+,91+,92-,93-,94+,95-,96+/m1/s1
InChIKey KIISKHDGHKBCGJ-JZQMTFPMSA-N
Literature Reference Author R.V.STICK,D.M.G.TILBROOK,S.J.WILLIAMS
Literature Reference Citation AUSTR.J.CHEM.,52,895(1999)
Literature Reference DOI 10.1071/CH99031
Molecular Weight 1560.886 g/mol
Solvent Unknown
Source File Reference UWRU4938