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#22;ALLYL-(2-O-ACETYL-3,4,6-TRI-O-BENZYL-ALPHA-D-MANNOPYRANOSYL)-(1->6)-[(3,4,6-TRI-O-BENZYL-2-DEOXY-2-TRICHLOROACETAMIDO-BETA-D-GALACTOPYRANOSYL)-(1->4)]-2-O-
SpectraBase Compound ID L5KrO3PpfYL
InChI InChI=1S/C77H84Cl3NO17/c1-4-41-86-71-70(92-49-60-39-25-12-26-40-60)67(98-73-64(81-76(83)77(78,79)80)68(90-47-58-35-21-10-22-36-58)65(88-45-56-31-17-8-18-32-56)61(95-73)50-84-43-54-27-13-6-14-28-54)63(97-74(71)87-42-5-2)52-93-75-72(94-53(3)82)69(91-48-59-37-23-11-24-38-59)66(89-46-57-33-19-9-20-34-57)62(96-75)51-85-44-55-29-15-7-16-30-55/h4-40,61-75H,1-2,41-52H2,3H3,(H,81,83)/t61-,62+,63-,64-,65+,66+,67-,68-,69-,70+,71+,72-,73+,74+,75-/m0/s1
InChIKey MBLKSNYMGPOSBG-QHMCVOAXSA-N
Mol Weight 1401.9 g/mol
Molecular Formula C77H84Cl3NO17
Exact Mass 1399.480483 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91RL8C2Ruft
Name #22;ALLYL-(2-O-ACETYL-3,4,6-TRI-O-BENZYL-ALPHA-D-MANNOPYRANOSYL)-(1->6)-[(3,4,6-TRI-O-BENZYL-2-DEOXY-2-TRICHLOROACETAMIDO-BETA-D-GALACTOPYRANOSYL)-(1->4)]-2-O-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C77H84Cl3NO17
InChI InChI=1S/C77H84Cl3NO17/c1-4-41-86-71-70(92-49-60-39-25-12-26-40-60)67(98-73-64(81-76(83)77(78,79)80)68(90-47-58-35-21-10-22-36-58)65(88-45-56-31-17-8-18-32-56)61(95-73)50-84-43-54-27-13-6-14-28-54)63(97-74(71)87-42-5-2)52-93-75-72(94-53(3)82)69(91-48-59-37-23-11-24-38-59)66(89-46-57-33-19-9-20-34-57)62(96-75)51-85-44-55-29-15-7-16-30-55/h4-40,61-75H,1-2,41-52H2,3H3,(H,81,83)/t61-,62+,63-,64-,65+,66+,67-,68-,69-,70+,71+,72-,73+,74+,75-/m0/s1
InChIKey MBLKSNYMGPOSBG-QHMCVOAXSA-N
Literature Reference Author K.PEKARI,R.R.SCHMIDT
Literature Reference Citation J.ORG.CHEM.,68,1295(2003)
Literature Reference DOI 10.1021/jo026380j
Molecular Weight 1401.869 g/mol
Solvent Unknown
Source File Reference UWVN25524