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(3.beta.,5.beta.,14.beta.,17.beta.)-3-[(2,3,4,6)-Tetra-O-benzyl.alpha.-L-mannopyranosyl)-oxy]-14-hydroxycard-20(22)-enolide
SpectraBase Compound ID 85hIAaT4bFK
InChI InChI=1S/C57H68O9/c1-55-28-25-45(32-44(55)23-24-48-47(55)26-29-56(2)46(27-30-57(48,56)59)43-31-50(58)61-37-43)65-54-53(64-36-42-21-13-6-14-22-42)52(63-35-41-19-11-5-12-20-41)51(62-34-40-17-9-4-10-18-40)49(66-54)38-60-33-39-15-7-3-8-16-39/h3-22,31,44-49,51-54,59H,23-30,32-38H2,1-2H3/t44-,45+,46-,47+,48-,49+,51+,52-,53-,54-,55+,56-,57+/m1/s1
InChIKey WKAWNXUSZCIXCQ-RCHOWBBDSA-N
Mol Weight 897.2 g/mol
Molecular Formula C57H68O9
Exact Mass 896.486334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EaT7D5SuX7s
Name (3-BETA,5-BETA,14-BETA,17-BETA)-3-[(2,3,4,6)-TETRA-O-BENZYL-ALPHA-L-MANNOPYRANOSYL)-OXY]-14-HYDROXYCARD-20(22)-ENOLIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H68O9
InChI InChI=1S/C57H68O9/c1-55-28-25-45(32-44(55)23-24-48-47(55)26-29-56(2)46(27-30-57(48,56)59)43-31-50(58)61-37-43)65-54-53(64-36-42-21-13-6-14-22-42)52(63-35-41-19-11-5-12-20-41)51(62-34-40-17-9-4-10-18-40)49(66-54)38-60-33-39-15-7-3-8-16-39/h3-22,31,44-49,51-54,59H,23-30,32-38H2,1-2H3/t44-,45+,46-,47+,48-,49+,51+,52-,53-,54-,55+,56-,57+/m1/s1
InChIKey WKAWNXUSZCIXCQ-RCHOWBBDSA-N
Literature Reference Author H.RATHORE,A.H.L.FROM,K.AHMED,D.S.FULLERTON
Literature Reference Citation J.MED.CHEM.,29,1945(1986)
Literature Reference DOI 10.1021/jm00160a025
Molecular Weight 897.162 g/mol
Solvent CDCl3
Source File Reference UWBK359