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#37;METHYL-[METHYL-(4-O-ALLYL-2-AZIDO-3,6-DI-O-BENZYL-2-DEOXY-D-GLUCOPYRANOSIDE-2-O-BENZOYL-3-O-BENZYL-ALPHA-L-IDOPYRANOSID)-URONATE]-(1->4)-3,6-DI-O-ACETYL-2-
SpectraBase Compound ID 8MWeHkuUW6Y
InChI InChI=1S/C63H70N4O20/c1-6-32-76-50-46(37-75-33-41-22-12-7-13-23-41)83-61(49(66-67-64)52(50)78-34-42-24-14-8-15-25-42)86-55-54(79-35-43-26-16-9-17-27-43)57(84-58(70)45-30-20-11-21-31-45)62(87-56(55)59(71)73-4)85-51-47(38-77-39(2)68)82-60(74-5)48(53(51)81-40(3)69)65-63(72)80-36-44-28-18-10-19-29-44/h6-31,46-57,60-62H,1,32-38H2,2-5H3,(H,65,72)/t46-,47-,48-,49-,50-,51-,52-,53-,54+,55+,56-,57-,60+,61-,62-/m1/s1
InChIKey QWYKPXICOPOPJG-WXLWPTAASA-N
Mol Weight 1203.3 g/mol
Molecular Formula C63H70N4O20
Exact Mass 1202.458341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GINnmBmoZqf
Name #37;METHYL-[METHYL-(4-O-ALLYL-2-AZIDO-3,6-DI-O-BENZYL-2-DEOXY-D-GLUCOPYRANOSIDE-2-O-BENZOYL-3-O-BENZYL-ALPHA-L-IDOPYRANOSID)-URONATE]-(1->4)-3,6-DI-O-ACETYL-2-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H70N4O20
InChI InChI=1S/C63H70N4O20/c1-6-32-76-50-46(37-75-33-41-22-12-7-13-23-41)83-61(49(66-67-64)52(50)78-34-42-24-14-8-15-25-42)86-55-54(79-35-43-26-16-9-17-27-43)57(84-58(70)45-30-20-11-21-31-45)62(87-56(55)59(71)73-4)85-51-47(38-77-39(2)68)82-60(74-5)48(53(51)81-40(3)69)65-63(72)80-36-44-28-18-10-19-29-44/h6-31,46-57,60-62H,1,32-38H2,2-5H3,(H,65,72)/t46-,47-,48-,49-,50-,51-,52-,53-,54+,55+,56-,57-,60+,61-,62-/m1/s1
InChIKey QWYKPXICOPOPJG-WXLWPTAASA-N
Literature Reference Author G.J.S.LOHMAN,P.H.SEEBERGER
Literature Reference Citation J.ORG.CHEM.,69,4081(2004)
Literature Reference DOI 10.1021/jo035732z
Molecular Weight 1203.264 g/mol
Solvent CDCl3
Source File Reference UWVN21657