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#19;(2-O-BENZOYL-4,6-O-BENZYLIDENE-3-O-[(S)-1-(METHOXYCARBONYL)-2-CYCLOHEXYL-ETHYLOXY]-BETA-D-GALACTOPYRANOSYL)-O-(1->3)-[2,3,4-TRI-O-BENZYL-ALPHA-L-FUCOPYRANO
SpectraBase Compound ID 7Ks2MsHxy1D
InChI InChI=1S/C70H80O16/c1-47-59(76-42-50-28-14-5-15-29-50)62(77-43-51-30-16-6-17-31-51)64(78-44-52-32-18-7-19-33-52)69(80-47)85-60-55(38-39-75-57(60)45-74-41-49-26-12-4-13-27-49)82-70-65(84-66(71)53-34-20-8-21-35-53)63(81-56(67(72)73-2)40-48-24-10-3-11-25-48)61-58(83-70)46-79-68(86-61)54-36-22-9-23-37-54/h4-9,12-23,26-37,47-48,55-65,68-70H,3,10-11,24-25,38-46H2,1-2H3/t47-,55+,56+,57+,58-,59+,60-,61+,62+,63+,64-,65-,68+,69-,70-/m0/s1
InChIKey MATLROSJHVTSIE-LFRFVNAESA-N
Mol Weight 1177.4 g/mol
Molecular Formula C70H80O16
Exact Mass 1176.544636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K3vPvtqbwjX
Name #19;(2-O-BENZOYL-4,6-O-BENZYLIDENE-3-O-[(S)-1-(METHOXYCARBONYL)-2-CYCLOHEXYL-ETHYLOXY]-BETA-D-GALACTOPYRANOSYL)-O-(1->3)-[2,3,4-TRI-O-BENZYL-ALPHA-L-FUCOPYRANO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C70H80O16
InChI InChI=1S/C70H80O16/c1-47-59(76-42-50-28-14-5-15-29-50)62(77-43-51-30-16-6-17-31-51)64(78-44-52-32-18-7-19-33-52)69(80-47)85-60-55(38-39-75-57(60)45-74-41-49-26-12-4-13-27-49)82-70-65(84-66(71)53-34-20-8-21-35-53)63(81-56(67(72)73-2)40-48-24-10-3-11-25-48)61-58(83-70)46-79-68(86-61)54-36-22-9-23-37-54/h4-9,12-23,26-37,47-48,55-65,68-70H,3,10-11,24-25,38-46H2,1-2H3/t47-,55+,56+,57+,58-,59+,60-,61+,62+,63+,64-,65-,68+,69-,70-/m0/s1
InChIKey MATLROSJHVTSIE-LFRFVNAESA-N
Literature Reference Author S.HANESSIAN,V.MASCITTI,O.ROGEL
Literature Reference Citation J.ORG.CHEM.,67,3346(2002)
Literature Reference DOI 10.1021/jo0110956
Molecular Weight 1177.396 g/mol
Solvent CDCl3
Source File Reference UWMS24780