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#41;5-[(BENZYLOXYCARBONYL)-AMINO]-PENTYL-O-[2-O-BENZOYL-4,6-O-[(S)-1-(METHOXYCARBONYL)-ETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSYL]-(1->3)-[2-O-BENZOYL-
SpectraBase Compound ID 7JW6qHEOyo9
InChI InChI=1S/C75H83NO25/c1-74(71(80)84-4)90-45-54-57(100-74)59(83-3)62(95-65(77)50-33-19-9-20-34-50)69(93-54)99-61-58-55(46-91-75(2,101-58)72(81)85-5)94-70(64(61)97-67(79)52-37-23-11-24-38-52)98-56-53(44-86-41-47-27-13-6-14-28-47)92-68(87-40-26-12-25-39-76-73(82)89-43-49-31-17-8-18-32-49)63(96-66(78)51-35-21-10-22-36-51)60(56)88-42-48-29-15-7-16-30-48/h6-11,13-24,27-38,53-64,68-70H,12,25-26,39-46H2,1-5H3,(H,76,82)/t53-,54+,55-,56-,57+,58-,59-,60+,61+,62+,63-,64-,68-,69-,70+,74-,75+/m0/s1
InChIKey OCQGUPHCOMBYAS-FNKPEWNRSA-N
Mol Weight 1398.5 g/mol
Molecular Formula C75H83NO25
Exact Mass 1397.525417 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID oYshjhIAU6
Name #41;5-[(BENZYLOXYCARBONYL)-AMINO]-PENTYL-O-[2-O-BENZOYL-4,6-O-[(S)-1-(METHOXYCARBONYL)-ETHYLIDENE]-3-O-METHYL-BETA-D-GLUCOPYRANOSYL]-(1->3)-[2-O-BENZOYL-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C75H83NO25
InChI InChI=1S/C75H83NO25/c1-74(71(80)84-4)90-45-54-57(100-74)59(83-3)62(95-65(77)50-33-19-9-20-34-50)69(93-54)99-61-58-55(46-91-75(2,101-58)72(81)85-5)94-70(64(61)97-67(79)52-37-23-11-24-38-52)98-56-53(44-86-41-47-27-13-6-14-28-47)92-68(87-40-26-12-25-39-76-73(82)89-43-49-31-17-8-18-32-49)63(96-66(78)51-35-21-10-22-36-51)60(56)88-42-48-29-15-7-16-30-48/h6-11,13-24,27-38,53-64,68-70H,12,25-26,39-46H2,1-5H3,(H,76,82)/t53-,54+,55-,56-,57+,58-,59-,60+,61+,62+,63-,64-,68-,69-,70+,74-,75+/m0/s1
InChIKey OCQGUPHCOMBYAS-FNKPEWNRSA-N
Literature Reference Author T.ZIEGLER,E.ECKHARDT,V.BIRAULT
Literature Reference Citation J.ORG.CHEM.,58,1090(1993)
Literature Reference DOI 10.1021/jo00057a021
Molecular Weight 1398.476 g/mol
Solvent CDCl3
Source File Reference UWCS20223