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3-O-[ALPHA-L-ARABINOPYRANOSYL-(1->6)]-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL_OLEANOLIC_ACID
SpectraBase Compound ID 6sPf8Hzr3qa
InChI InChI=1S/C43H69NO12/c1-22(45)44-30-33(49)32(48)26(21-54-36-34(50)31(47)25(46)20-53-36)55-35(30)56-29-12-13-40(6)27(39(29,4)5)11-14-42(8)28(40)10-9-23-24-19-38(2,3)15-17-43(24,37(51)52)18-16-41(23,42)7/h9,24-36,46-50H,10-21H2,1-8H3,(H,44,45)(H,51,52)/t24-,25-,26+,27-,28+,29-,30+,31-,32+,33+,34+,35-,36-,40-,41+,42+,43-/m0/s1
InChIKey MBMJMOODCJFAET-NLZUOQEQSA-N
Mol Weight 792.0 g/mol
Molecular Formula C43H69NO12
Exact Mass 791.481977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8olVvTb22o
Name 3-O-[ALPHA-L-ARABINOPYRANOSYL-(1->6)]-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL_OLEANOLIC_ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H69NO12
InChI InChI=1S/C43H69NO12/c1-22(45)44-30-33(49)32(48)26(21-54-36-34(50)31(47)25(46)20-53-36)55-35(30)56-29-12-13-40(6)27(39(29,4)5)11-14-42(8)28(40)10-9-23-24-19-38(2,3)15-17-43(24,37(51)52)18-16-41(23,42)7/h9,24-36,46-50H,10-21H2,1-8H3,(H,44,45)(H,51,52)/t24-,25-,26+,27-,28+,29-,30+,31-,32+,33+,34+,35-,36-,40-,41+,42+,43-/m0/s1
InChIKey MBMJMOODCJFAET-NLZUOQEQSA-N
Literature Reference Author H.ZHANG,A.K.SAMADI,K.V.RAO,M.S.COHEN,B.N.TIMMERMANN
Literature Reference Citation J.NAT.PROD.,74,477(2011)
Literature Reference DOI 10.1021/np100702p
Molecular Weight 792.020 g/mol
Sample ID 37356
Solvent C5D5N